1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide

C20H23BrN4O2 — CID 60523102

IUPAC1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccc(Br)cn2)C1)NCc1ccccc1
InChIInChI=1S/C20H23BrN4O2/c21-17-8-9-18(22-12-17)24-20(27)16-7-4-10-25(13-16)14-19(26)23-11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,(H,23,26)(H,22,24,27)
InChIKeyVKHMOACQUYGPCF-UHFFFAOYSA-N
MW431.33 g/mol
LogP2.81
Rot. Bonds6

About 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide

1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 60523102) has the molecular formula C20H23BrN4O2 and a molecular weight of 431.33 g/mol. Its IUPAC name is 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
PubChem CID60523102
Molecular FormulaC20H23BrN4O2
Molecular Weight431.33 g/mol
Exact Mass430.10
IUPAC Name1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccc(Br)cn2)C1)NCc1ccccc1
InChIInChI=1S/C20H23BrN4O2/c21-17-8-9-18(22-12-17)24-20(27)16-7-4-10-25(13-16)14-19(26)23-11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,(H,23,26)(H,22,24,27)
InChIKeyVKHMOACQUYGPCF-UHFFFAOYSA-N
XLogP2.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 60523047
N-(5-bromo-2-pyridinyl)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856093
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
N-(5-bromo-2-pyridinyl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856982
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 78904253
(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95761585
N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548387
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 87015216
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide (CID 60523102) is 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide is O=C(CN1CCCC(C(=O)Nc2ccc(Br)cn2)C1)NCc1ccccc1.
What is the InChIKey of 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is VKHMOACQUYGPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O2/c21-17-8-9-18(22-12-17)24-20(27)16-7-4-10-25(13-16)14-19(26)23-11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,(H,23,26)(H,22,24,27).
What are the key properties of 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide?
1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 60523102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).