(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide

C19H26BrN3O2 — CID 94134844

IUPAC(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C19H26BrN3O2/c20-16-8-9-17(21-12-16)22-19(25)15-6-3-11-23(13-15)18(24)10-7-14-4-1-2-5-14/h8-9,12,14-15H,1-7,10-11,13H2,(H,21,22,25)/t15-/m0/s1
InChIKeyITYLGQRHBYLZHR-HNNXBMFYSA-N
MW408.34 g/mol
LogP3.99
Rot. Bonds5

About (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide

(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide (PubChem CID 94134844) has the molecular formula C19H26BrN3O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
PubChem CID94134844
Molecular FormulaC19H26BrN3O2
Molecular Weight408.34 g/mol
Exact Mass407.12
IUPAC Name(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C19H26BrN3O2/c20-16-8-9-17(21-12-16)22-19(25)15-6-3-11-23(13-15)18(24)10-7-14-4-1-2-5-14/h8-9,12,14-15H,1-7,10-11,13H2,(H,21,22,25)/t15-/m0/s1
InChIKeyITYLGQRHBYLZHR-HNNXBMFYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
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-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 55930362
N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 55931379
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
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
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide (CID 94134844) is (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)CCC2CCCC2)C1.
What is the InChIKey of (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide?
The InChIKey is ITYLGQRHBYLZHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26BrN3O2/c20-16-8-9-17(21-12-16)22-19(25)15-6-3-11-23(13-15)18(24)10-7-14-4-1-2-5-14/h8-9,12,14-15H,1-7,10-11,13H2,(H,21,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide?
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide has a molecular weight of 408.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94134844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).