2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane

C31H61N5O5 — CID 161022777

IUPAC2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane
SMILESCC(C)C.CC(C)[C@@H](CN1CCCC[C@H]1C(=O)N1CCCC1)N(C)C(=O)CNC=O.CN1CCCCC1.COC=O
InChIInChI=1S/C19H34N4O3.C6H13N.C4H10.C2H4O2/c1-15(2)17(21(3)18(25)12-20-14-24)13-23-11-5-4-8-16(23)19(26)22-9-6-7-10-22;1-7-5-3-2-4-6-7;1-4(2)3;1-4-2-3/h14-17H,4-13H2,1-3H3,(H,20,24);2-6H2,1H3;4H,1-3H3;2H,1H3/t16-,17+;;;/m0.../s1
InChIKeyTYPARBXHPWVLQU-GFHNOKBBSA-N
MW583.86 g/mol
LogP3.25
Rot. Bonds9

About 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane

2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane (PubChem CID 161022777) has the molecular formula C31H61N5O5 and a molecular weight of 583.86 g/mol. Its IUPAC name is 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane.

Molecular Properties

Compound Name2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane
PubChem CID161022777
Molecular FormulaC31H61N5O5
Molecular Weight583.86 g/mol
Exact Mass583.47
IUPAC Name2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane
SMILESCC(C)C.CC(C)[C@@H](CN1CCCC[C@H]1C(=O)N1CCCC1)N(C)C(=O)CNC=O.CN1CCCCC1.COC=O
InChIInChI=1S/C19H34N4O3.C6H13N.C4H10.C2H4O2/c1-15(2)17(21(3)18(25)12-20-14-24)13-23-11-5-4-8-16(23)19(26)22-9-6-7-10-22;1-7-5-3-2-4-6-7;1-4(2)3;1-4-2-3/h14-17H,4-13H2,1-3H3,(H,20,24);2-6H2,1H3;4H,1-3H3;2H,1H3/t16-,17+;;;/m0.../s1
InChIKeyTYPARBXHPWVLQU-GFHNOKBBSA-N
XLogP3.25
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane?
The IUPAC name of 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane (CID 161022777) is 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane.
What is the SMILES notation for 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane?
The canonical SMILES for 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane is CC(C)C.CC(C)[C@@H](CN1CCCC[C@H]1C(=O)N1CCCC1)N(C)C(=O)CNC=O.CN1CCCCC1.COC=O.
What is the InChIKey of 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane?
The InChIKey is TYPARBXHPWVLQU-GFHNOKBBSA-N. The full InChI is InChI=1S/C19H34N4O3.C6H13N.C4H10.C2H4O2/c1-15(2)17(21(3)18(25)12-20-14-24)13-23-11-5-4-8-16(23)19(26)22-9-6-7-10-22;1-7-5-3-2-4-6-7;1-4(2)3;1-4-2-3/h14-17H,4-13H2,1-3H3,(H,20,24);2-6H2,1H3;4H,1-3H3;2H,1H3/t16-,17+;;;/m0.../s1.
What are the key properties of 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane?
2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane has a molecular weight of 583.86 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-methyl-N-[(2S)-3-methyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-2-yl]acetamide;methyl formate;1-methylpiperidine;2-methylpropane is sourced from PubChem (CID 161022777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).