4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide

C18H27N5O2 — CID 97344495

IUPAC4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(C)N1CCC[C@H](N2CCN(C(=O)Nc3ccncc3)CC2)C1=O
InChIInChI=1S/C18H27N5O2/c1-14(2)23-9-3-4-16(17(23)24)21-10-12-22(13-11-21)18(25)20-15-5-7-19-8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,19,20,25)/t16-/m0/s1
InChIKeyOLBIOPYAIMSEEC-INIZCTEOSA-N
MW345.45 g/mol
LogP1.63
Rot. Bonds3

About 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide

4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 97344495) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID97344495
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(C)N1CCC[C@H](N2CCN(C(=O)Nc3ccncc3)CC2)C1=O
InChIInChI=1S/C18H27N5O2/c1-14(2)23-9-3-4-16(17(23)24)21-10-12-22(13-11-21)18(25)20-15-5-7-19-8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,19,20,25)/t16-/m0/s1
InChIKeyOLBIOPYAIMSEEC-INIZCTEOSA-N
XLogP1.63
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319544
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide
CID 51727369
4-(propylamino)-N-pyridin-4-ylpiperidine-1-carboxamide
CID 143091421
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
2,6-dimethyl-N-pyridin-4-ylpiperidine-1-carboxamide
CID 110706464
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 167816908
1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
CID 78772201
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide (CID 97344495) is 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide is CC(C)N1CCC[C@H](N2CCN(C(=O)Nc3ccncc3)CC2)C1=O.
What is the InChIKey of 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is OLBIOPYAIMSEEC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(2)23-9-3-4-16(17(23)24)21-10-12-22(13-11-21)18(25)20-15-5-7-19-8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,19,20,25)/t16-/m0/s1.
What are the key properties of 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide?
4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 97344495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).