cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane

C27H51N3O4 — CID 142813821

IUPACcyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane
SMILESC1CCCC1.CCC.CCOC(=O)/C(C)=C/CN(C)C(=O)CNC(=O)C1CCCCN1C(C)C
InChIInChI=1S/C19H33N3O4.C5H10.C3H8/c1-6-26-19(25)15(4)10-12-21(5)17(23)13-20-18(24)16-9-7-8-11-22(16)14(2)3;1-2-4-5-3-1;1-3-2/h10,14,16H,6-9,11-13H2,1-5H3,(H,20,24);1-5H2;3H2,1-2H3/b15-10+;;
InChIKeyCJQSJMALUFOBOQ-OVWKBUNZSA-N
MW481.72 g/mol
LogP4.70
Rot. Bonds8

About cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane

cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane (PubChem CID 142813821) has the molecular formula C27H51N3O4 and a molecular weight of 481.72 g/mol. Its IUPAC name is cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane.

Molecular Properties

Compound Namecyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane
PubChem CID142813821
Molecular FormulaC27H51N3O4
Molecular Weight481.72 g/mol
Exact Mass481.39
IUPAC Namecyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane
SMILESC1CCCC1.CCC.CCOC(=O)/C(C)=C/CN(C)C(=O)CNC(=O)C1CCCCN1C(C)C
InChIInChI=1S/C19H33N3O4.C5H10.C3H8/c1-6-26-19(25)15(4)10-12-21(5)17(23)13-20-18(24)16-9-7-8-11-22(16)14(2)3;1-2-4-5-3-1;1-3-2/h10,14,16H,6-9,11-13H2,1-5H3,(H,20,24);1-5H2;3H2,1-2H3/b15-10+;;
InChIKeyCJQSJMALUFOBOQ-OVWKBUNZSA-N
XLogP4.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.72
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate
CID 142813400
ethyl (E)-2-methyl-5-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]pent-2-enoate
CID 143023882
ethyl (E)-4-[(2-formamidoacetyl)-methylamino]-2-methylbut-2-enoate;1-methylpiperidine;2-methylpropane;propane
CID 158101367
ethyl (E)-4-[[2-[(1-butan-2-ylpiperidine-2-carbonyl)amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoate
CID 142813617
(E)-2-methyl-4-[methyl-[(3S)-3-methyl-2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]pentanoyl]amino]but-2-enoic acid;propane
CID 142813698
ethyl 2-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]amino]hex-2-enoate
CID 91465722
ethyl (4S)-2,5-dimethyl-4-[methyl-[(2R,3R)-3-methyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]pentanoyl]amino]hex-2-enoate
CID 91305002
ethyl (4S)-2,5-dimethyl-4-[methyl-[(2R,3R)-3-methyl-2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]pentanoyl]amino]hex-2-enoate
CID 91397151
ethyl (E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 59234418
ethyl (E,4S)-4-[[3,3-dimethyl-2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 59234472
N-[3-methyl-1-[methyl-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]amino]-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 142813330
ethyl (4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]-ethylamino]-2,5-dimethylhex-2-enoate
CID 90958135

Frequently Asked Questions

What is the IUPAC name of cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane?
The IUPAC name of cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane (CID 142813821) is cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane.
What is the SMILES notation for cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane?
The canonical SMILES for cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane is C1CCCC1.CCC.CCOC(=O)/C(C)=C/CN(C)C(=O)CNC(=O)C1CCCCN1C(C)C.
What is the InChIKey of cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane?
The InChIKey is CJQSJMALUFOBOQ-OVWKBUNZSA-N. The full InChI is InChI=1S/C19H33N3O4.C5H10.C3H8/c1-6-26-19(25)15(4)10-12-21(5)17(23)13-20-18(24)16-9-7-8-11-22(16)14(2)3;1-2-4-5-3-1;1-3-2/h10,14,16H,6-9,11-13H2,1-5H3,(H,20,24);1-5H2;3H2,1-2H3/b15-10+;;.
What are the key properties of cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane?
cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane has a molecular weight of 481.72 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ethyl (E)-2-methyl-4-[methyl-[2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]acetyl]amino]but-2-enoate;propane is sourced from PubChem (CID 142813821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).