N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide

C14H19BrN2O3 — CID 110922318

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(O)C2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-20-13-5-4-10(7-12(13)15)8-16-14(19)17-6-2-3-11(18)9-17/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,16,19)
InChIKeyYPJFGQRSZWLAHH-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.12
Rot. Bonds3

About N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide

N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 110922318) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID110922318
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(O)C2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-20-13-5-4-10(7-12(13)15)8-16-14(19)17-6-2-3-11(18)9-17/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,16,19)
InChIKeyYPJFGQRSZWLAHH-UHFFFAOYSA-N
XLogP2.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145552
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 87002970
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 60569756
2-[(3-bromo-4-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 112684699
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
methyl 1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 55211640
2-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276974

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide (CID 110922318) is N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(O)C2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is YPJFGQRSZWLAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-20-13-5-4-10(7-12(13)15)8-16-14(19)17-6-2-3-11(18)9-17/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,16,19).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 110922318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).