N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide

C15H21N5O2 — CID 171564714

IUPACN-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCNC1=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C15H21N5O2/c21-14-13(2-1-5-17-14)19-15(22)12-4-3-11(10-18-12)20-8-6-16-7-9-20/h3-4,10,13,16H,1-2,5-9H2,(H,17,21)(H,19,22)/t13-/m0/s1
InChIKeyDRHSEPQERLNVKN-ZDUSSCGKSA-N
MW303.37 g/mol
LogP-0.50
Rot. Bonds3

About N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide

N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 171564714) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID171564714
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCNC1=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C15H21N5O2/c21-14-13(2-1-5-17-14)19-15(22)12-4-3-11(10-18-12)20-8-6-16-7-9-20/h3-4,10,13,16H,1-2,5-9H2,(H,17,21)(H,19,22)/t13-/m0/s1
InChIKeyDRHSEPQERLNVKN-ZDUSSCGKSA-N
XLogP-0.50
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 62092824
5-hydrazinyl-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 104642267
5-tert-butyl-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 170175526
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
6-amino-N-(2-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 55041508
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
N-[(2R)-1-hydroxypropan-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082435

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide (CID 171564714) is N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide is O=C(N[C@H]1CCCNC1=O)c1ccc(N2CCNCC2)cn1.
What is the InChIKey of N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is DRHSEPQERLNVKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-14-13(2-1-5-17-14)19-15(22)12-4-3-11(10-18-12)20-8-6-16-7-9-20/h3-4,10,13,16H,1-2,5-9H2,(H,17,21)(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 303.37 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 171564714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).