N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide

C16H30N2O — CID 124740481

IUPACN-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCN(C[C@H]2CC[C@@H](C)C2)C1
InChIInChI=1S/C16H30N2O/c1-3-5-16(19)17-15-6-4-9-18(12-15)11-14-8-7-13(2)10-14/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14+,15-/m1/s1
InChIKeyUTMUREGGWMXHBR-QLFBSQMISA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds5

About N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide

N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide (PubChem CID 124740481) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide
PubChem CID124740481
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCN(C[C@H]2CC[C@@H](C)C2)C1
InChIInChI=1S/C16H30N2O/c1-3-5-16(19)17-15-6-4-9-18(12-15)11-14-8-7-13(2)10-14/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14+,15-/m1/s1
InChIKeyUTMUREGGWMXHBR-QLFBSQMISA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431138
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-morpholin-4-ylpropanamide
CID 45205353
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431139
N-cyclooctylbutanamide
CID 4614062
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
CID 120899494
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761692
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide?
The IUPAC name of N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide (CID 124740481) is N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide is CCCC(=O)N[C@@H]1CCCN(C[C@H]2CC[C@@H](C)C2)C1.
What is the InChIKey of N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide?
The InChIKey is UTMUREGGWMXHBR-QLFBSQMISA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-5-16(19)17-15-6-4-9-18(12-15)11-14-8-7-13(2)10-14/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14+,15-/m1/s1.
What are the key properties of N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide?
N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide has a molecular weight of 266.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide is sourced from PubChem (CID 124740481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).