methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate

C16H30N2O3 — CID 63130841

IUPACmethyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
SMILESCCCC1(C(=O)NC(C(=O)OC)C(C)CC)CCCNC1
InChIInChI=1S/C16H30N2O3/c1-5-8-16(9-7-10-17-11-16)15(20)18-13(12(3)6-2)14(19)21-4/h12-13,17H,5-11H2,1-4H3,(H,18,20)
InChIKeySWZYCWHADSGHRQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.86
Rot. Bonds7

About methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate

methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate (PubChem CID 63130841) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
PubChem CID63130841
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
SMILESCCCC1(C(=O)NC(C(=O)OC)C(C)CC)CCCNC1
InChIInChI=1S/C16H30N2O3/c1-5-8-16(9-7-10-17-11-16)15(20)18-13(12(3)6-2)14(19)21-4/h12-13,17H,5-11H2,1-4H3,(H,18,20)
InChIKeySWZYCWHADSGHRQ-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
CID 63130798
methyl 4-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63129989
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
CID 64642823
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate (CID 63130841) is methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate is CCCC1(C(=O)NC(C(=O)OC)C(C)CC)CCCNC1.
What is the InChIKey of methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate?
The InChIKey is SWZYCWHADSGHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-8-16(9-7-10-17-11-16)15(20)18-13(12(3)6-2)14(19)21-4/h12-13,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate?
methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate has a molecular weight of 298.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 63130841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).