N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide

C16H23BrN2O — CID 63135385

IUPACN-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(Br)c2)CCCNC1
InChIInChI=1S/C16H23BrN2O/c1-2-7-16(8-4-9-18-12-16)15(20)19-11-13-5-3-6-14(17)10-13/h3,5-6,10,18H,2,4,7-9,11-12H2,1H3,(H,19,20)
InChIKeyDMJCUTRFBCKYOS-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.24
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide

N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide (PubChem CID 63135385) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
PubChem CID63135385
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(Br)c2)CCCNC1
InChIInChI=1S/C16H23BrN2O/c1-2-7-16(8-4-9-18-12-16)15(20)19-11-13-5-3-6-14(17)10-13/h3,5-6,10,18H,2,4,7-9,11-12H2,1H3,(H,19,20)
InChIKeyDMJCUTRFBCKYOS-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
1-(aminomethyl)-N-[(3-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705750

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide (CID 63135385) is N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCc2cccc(Br)c2)CCCNC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is DMJCUTRFBCKYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-2-7-16(8-4-9-18-12-16)15(20)19-11-13-5-3-6-14(17)10-13/h3,5-6,10,18H,2,4,7-9,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide?
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63135385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).