1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide

C23H37N5O2 — CID 86968814

IUPAC1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC(C)CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C23H37N5O2/c1-4-18(2)23(30)28-11-7-8-20(17-28)22(29)25-19(3)16-26-12-14-27(15-13-26)21-9-5-6-10-24-21/h5-6,9-10,18-20H,4,7-8,11-17H2,1-3H3,(H,25,29)
InChIKeyJYWBCLBUYCWOGB-UHFFFAOYSA-N
MW415.58 g/mol
LogP1.99
Rot. Bonds7

About 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide

1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide (PubChem CID 86968814) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide
PubChem CID86968814
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC Name1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC(C)CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C23H37N5O2/c1-4-18(2)23(30)28-11-7-8-20(17-28)22(29)25-19(3)16-26-12-14-27(15-13-26)21-9-5-6-10-24-21/h5-6,9-10,18-20H,4,7-8,11-17H2,1-3H3,(H,25,29)
InChIKeyJYWBCLBUYCWOGB-UHFFFAOYSA-N
XLogP1.99
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 86968889
N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide
CID 53161589
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892680
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 94091157
(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
CID 120941925
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
CID 98756044
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide (CID 86968814) is 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide is CCC(C)C(=O)N1CCCC(C(=O)NC(C)CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is JYWBCLBUYCWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-4-18(2)23(30)28-11-7-8-20(17-28)22(29)25-19(3)16-26-12-14-27(15-13-26)21-9-5-6-10-24-21/h5-6,9-10,18-20H,4,7-8,11-17H2,1-3H3,(H,25,29).
What are the key properties of 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide?
1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 86968814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).