N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide

C16H30N2O2 — CID 125440543

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESC[C@H]1CCCN(CCC(=O)NCC2(CO)CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-14-5-4-9-18(11-14)10-6-15(20)17-12-16(13-19)7-2-3-8-16/h14,19H,2-13H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyYFLXRKIWMXOJDQ-AWEZNQCLSA-N
MW282.43 g/mol
LogP1.78
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide (PubChem CID 125440543) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide
PubChem CID125440543
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESC[C@H]1CCCN(CCC(=O)NCC2(CO)CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-14-5-4-9-18(11-14)10-6-15(20)17-12-16(13-19)7-2-3-8-16/h14,19H,2-13H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyYFLXRKIWMXOJDQ-AWEZNQCLSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109016229
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 125446181
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid
CID 52983770
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
3-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30099813
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide (CID 125440543) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide is C[C@H]1CCCN(CCC(=O)NCC2(CO)CCCC2)C1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is YFLXRKIWMXOJDQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14-5-4-9-18(11-14)10-6-15(20)17-12-16(13-19)7-2-3-8-16/h14,19H,2-13H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 282.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 125440543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).