(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C18H19N5O — CID 97263501

IUPAC(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H19N5O/c24-17(22-15-4-5-16-13(11-15)6-9-19-16)14-3-1-10-23(12-14)18-20-7-2-8-21-18/h2,4-9,11,14,19H,1,3,10,12H2,(H,22,24)/t14-/m0/s1
InChIKeyFXGUWXYNOYSOJX-AWEZNQCLSA-N
MW321.38 g/mol
LogP2.81
Rot. Bonds3

About (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 97263501) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID97263501
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H19N5O/c24-17(22-15-4-5-16-13(11-15)6-9-19-16)14-3-1-10-23(12-14)18-20-7-2-8-21-18/h2,4-9,11,14,19H,1,3,10,12H2,(H,22,24)/t14-/m0/s1
InChIKeyFXGUWXYNOYSOJX-AWEZNQCLSA-N
XLogP2.81
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
N-(3-acetamido-4-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47023979
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55955657
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042
(3R)-N-(4-acetamidophenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41087933

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 97263501) is (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is FXGUWXYNOYSOJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17(22-15-4-5-16-13(11-15)6-9-19-16)14-3-1-10-23(12-14)18-20-7-2-8-21-18/h2,4-9,11,14,19H,1,3,10,12H2,(H,22,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 97263501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).