N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide

C17H24BrN3O2 — CID 167768068

IUPACN-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCC1O
InChIInChI=1S/C17H24BrN3O2/c1-12-11-21(9-6-16(12)22)17(23)19-14-10-13(18)4-5-15(14)20-7-2-3-8-20/h4-5,10,12,16,22H,2-3,6-9,11H2,1H3,(H,19,23)
InChIKeyZCSPZSAMELTMSZ-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.28
Rot. Bonds2

About N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide

N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide (PubChem CID 167768068) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide
PubChem CID167768068
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCC1O
InChIInChI=1S/C17H24BrN3O2/c1-12-11-21(9-6-16(12)22)17(23)19-14-10-13(18)4-5-15(14)20-7-2-3-8-20/h4-5,10,12,16,22H,2-3,6-9,11H2,1H3,(H,19,23)
InChIKeyZCSPZSAMELTMSZ-UHFFFAOYSA-N
XLogP3.28
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 114679432
4-bromo-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 79181856
1-[(2,5-dibromophenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720417
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 114679455
1-[(2,5-dibromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 61468314
5-bromo-2-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 62074012
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 114679601
3-chloro-4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 114679494
(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679899
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
4-bromo-2-[(4-methylazepane-1-carbonyl)amino]benzoic acid
CID 63625124

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide (CID 167768068) is N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCC1O.
What is the InChIKey of N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide?
The InChIKey is ZCSPZSAMELTMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-12-11-21(9-6-16(12)22)17(23)19-14-10-13(18)4-5-15(14)20-7-2-3-8-20/h4-5,10,12,16,22H,2-3,6-9,11H2,1H3,(H,19,23).
What are the key properties of N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide?
N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 167768068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).