(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide

C23H27N5O — CID 99873101

IUPAC(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C23H27N5O/c29-23(24-10-9-17-13-25-20-6-2-1-5-19(17)20)18-4-3-11-28(14-18)22-12-21(16-7-8-16)26-15-27-22/h1-2,5-6,12-13,15-16,18,25H,3-4,7-11,14H2,(H,24,29)/t18-/m0/s1
InChIKeyIHSSJIWXYWWKIL-SFHVURJKSA-N
MW389.50 g/mol
LogP3.41
Rot. Bonds6

About (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 99873101) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID99873101
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C23H27N5O/c29-23(24-10-9-17-13-25-20-6-2-1-5-19(17)20)18-4-3-11-28(14-18)22-12-21(16-7-8-16)26-15-27-22/h1-2,5-6,12-13,15-16,18,25H,3-4,7-11,14H2,(H,24,29)/t18-/m0/s1
InChIKeyIHSSJIWXYWWKIL-SFHVURJKSA-N
XLogP3.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018176
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30354211
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 90514654
N-(1H-indol-3-ylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600910
N-[2-(1H-indol-3-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810836
N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611714
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781586
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[2-(1H-indol-3-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 91950706
(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557184

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide (CID 99873101) is (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is IHSSJIWXYWWKIL-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(24-10-9-17-13-25-20-6-2-1-5-19(17)20)18-4-3-11-28(14-18)22-12-21(16-7-8-16)26-15-27-22/h1-2,5-6,12-13,15-16,18,25H,3-4,7-11,14H2,(H,24,29)/t18-/m0/s1.
What are the key properties of (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 99873101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).