(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide

C18H24BrN3O2 — CID 95761683

IUPAC(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C18H24BrN3O2/c19-15-7-8-16(20-11-15)21-18(24)14-6-3-9-22(12-14)17(23)10-13-4-1-2-5-13/h7-8,11,13-14H,1-6,9-10,12H2,(H,20,21,24)/t14-/m1/s1
InChIKeyPESMWIPIRJESSI-CQSZACIVSA-N
MW394.31 g/mol
LogP3.60
Rot. Bonds4

About (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide

(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide (PubChem CID 95761683) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
PubChem CID95761683
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C18H24BrN3O2/c19-15-7-8-16(20-11-15)21-18(24)14-6-3-9-22(12-14)17(23)10-13-4-1-2-5-13/h7-8,11,13-14H,1-6,9-10,12H2,(H,20,21,24)/t14-/m1/s1
InChIKeyPESMWIPIRJESSI-CQSZACIVSA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
N-(5-bromo-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]piperidine-3-carboxamide
CID 55993827
N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119856404
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345083
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345085
N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 55931379
N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 55930362
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55930745
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55813205

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide (CID 95761683) is (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide?
The InChIKey is PESMWIPIRJESSI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c19-15-7-8-16(20-11-15)21-18(24)14-6-3-9-22(12-14)17(23)10-13-4-1-2-5-13/h7-8,11,13-14H,1-6,9-10,12H2,(H,20,21,24)/t14-/m1/s1.
What are the key properties of (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide?
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 95761683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).