1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

C18H31N3O3 — CID 131913752

IUPAC1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCCC(=O)NCC(=O)N1CCC(CNC(=O)C2(C)CCCC2)CC1
InChIInChI=1S/C18H31N3O3/c1-3-15(22)19-13-16(23)21-10-6-14(7-11-21)12-20-17(24)18(2)8-4-5-9-18/h14H,3-13H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyWDHZPPKKQLIZSH-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.45
Rot. Bonds6

About 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 131913752) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
PubChem CID131913752
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCCC(=O)NCC(=O)N1CCC(CNC(=O)C2(C)CCCC2)CC1
InChIInChI=1S/C18H31N3O3/c1-3-15(22)19-13-16(23)21-10-6-14(7-11-21)12-20-17(24)18(2)8-4-5-9-18/h14H,3-13H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyWDHZPPKKQLIZSH-UHFFFAOYSA-N
XLogP1.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132
4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
N-[(4,4-dimethylcyclohexyl)methyl]propanamide
CID 130164605
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 171672707
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866892
N-[(1-iodopiperidin-4-yl)methyl]propanamide
CID 146581381
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide
CID 134557431

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (CID 131913752) is 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is CCC(=O)NCC(=O)N1CCC(CNC(=O)C2(C)CCCC2)CC1.
What is the InChIKey of 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is WDHZPPKKQLIZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-3-15(22)19-13-16(23)21-10-6-14(7-11-21)12-20-17(24)18(2)8-4-5-9-18/h14H,3-13H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 131913752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).