N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide

C16H23BrN2O — CID 81375901

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
SMILESC[C@H](NC(=O)CCC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-12(14-5-2-6-15(17)10-14)19-16(20)8-7-13-4-3-9-18-11-13/h2,5-6,10,12-13,18H,3-4,7-9,11H2,1H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyUMMUCKYLPKEESQ-UEWDXFNNSA-N
MW339.28 g/mol
LogP3.41
Rot. Bonds5

About N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide

N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide (PubChem CID 81375901) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
PubChem CID81375901
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
SMILESC[C@H](NC(=O)CCC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-12(14-5-2-6-15(17)10-14)19-16(20)8-7-13-4-3-9-18-11-13/h2,5-6,10,12-13,18H,3-4,7-9,11H2,1H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyUMMUCKYLPKEESQ-UEWDXFNNSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
N-[1-(3-hydroxyphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62676485
N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 81400796
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide
CID 81376334
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[1-(3-bromophenyl)ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55575236

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide (CID 81375901) is N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide is C[C@H](NC(=O)CCC1CCCNC1)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide?
The InChIKey is UMMUCKYLPKEESQ-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(14-5-2-6-15(17)10-14)19-16(20)8-7-13-4-3-9-18-11-13/h2,5-6,10,12-13,18H,3-4,7-9,11H2,1H3,(H,19,20)/t12-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide has a molecular weight of 339.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 81375901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).