(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide

C15H22N4O2 — CID 51727369

IUPAC(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccncc2)C1
InChIInChI=1S/C15H22N4O2/c1-11(2)17-15(21)19-9-3-4-12(10-19)14(20)18-13-5-7-16-8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,21)(H,16,18,20)/t12-/m0/s1
InChIKeySSFFWNNEUNKFHL-LBPRGKRZSA-N
MW290.37 g/mol
LogP1.85
Rot. Bonds3

About (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide

(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide (PubChem CID 51727369) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide
PubChem CID51727369
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccncc2)C1
InChIInChI=1S/C15H22N4O2/c1-11(2)17-15(21)19-9-3-4-12(10-19)14(20)18-13-5-7-16-8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,21)(H,16,18,20)/t12-/m0/s1
InChIKeySSFFWNNEUNKFHL-LBPRGKRZSA-N
XLogP1.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956289

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide (CID 51727369) is (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide is CC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccncc2)C1.
What is the InChIKey of (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide?
The InChIKey is SSFFWNNEUNKFHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(2)17-15(21)19-9-3-4-12(10-19)14(20)18-13-5-7-16-8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,21)(H,16,18,20)/t12-/m0/s1.
What are the key properties of (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide?
(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 51727369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).