N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide

C16H30N2O — CID 81386056

IUPACN-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
SMILESC[C@H](NC(=O)CCC1CCNCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(15-5-3-2-4-6-15)18-16(19)8-7-14-9-11-17-12-10-14/h13-15,17H,2-12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeySVOXZRBJARNCFY-ZDUSSCGKSA-N
MW266.43 g/mol
LogP2.85
Rot. Bonds5

About N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide

N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide (PubChem CID 81386056) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
PubChem CID81386056
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
SMILESC[C@H](NC(=O)CCC1CCNCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(15-5-3-2-4-6-15)18-16(19)8-7-14-9-11-17-12-10-14/h13-15,17H,2-12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeySVOXZRBJARNCFY-ZDUSSCGKSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylethyl)-3-piperidin-4-ylpropanamide
CID 62405617
N-[(1R)-1-cyclopentylethyl]-3-piperidin-4-ylpropanamide
CID 81390674
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
4-methyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 43523174
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
N-[(1R)-1-cycloheptylethyl]-2-piperidin-4-yloxyacetamide
CID 81392321
3-(oxolan-2-yl)-N-(1-piperidin-4-ylethyl)propanamide
CID 65154890
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide (CID 81386056) is N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide is C[C@H](NC(=O)CCC1CCNCC1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide?
The InChIKey is SVOXZRBJARNCFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(15-5-3-2-4-6-15)18-16(19)8-7-14-9-11-17-12-10-14/h13-15,17H,2-12H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide?
N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide has a molecular weight of 266.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 81386056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).