(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

C21H23N5O2 — CID 95727694

IUPAC(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCn1c(C(=O)N2CCNC[C@@H]2C(=O)NCc2ccncc2)cc2ccccc21
InChIInChI=1S/C21H23N5O2/c1-25-17-5-3-2-4-16(17)12-18(25)21(28)26-11-10-23-14-19(26)20(27)24-13-15-6-8-22-9-7-15/h2-9,12,19,23H,10-11,13-14H2,1H3,(H,24,27)/t19-/m1/s1
InChIKeyWUPSRJYDOOMPQA-LJQANCHMSA-N
MW377.45 g/mol
LogP1.30
Rot. Bonds4

About (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 95727694) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID95727694
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCn1c(C(=O)N2CCNC[C@@H]2C(=O)NCc2ccncc2)cc2ccccc21
InChIInChI=1S/C21H23N5O2/c1-25-17-5-3-2-4-16(17)12-18(25)21(28)26-11-10-23-14-19(26)20(27)24-13-15-6-8-22-9-7-15/h2-9,12,19,23H,10-11,13-14H2,1H3,(H,24,27)/t19-/m1/s1
InChIKeyWUPSRJYDOOMPQA-LJQANCHMSA-N
XLogP1.30
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95708878
(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95724791
1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56894686
(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124948371
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
CID 118137995
tert-butyl 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 22557197
1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56884685
(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95717707
1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56885089
N-ethyl-1-(3-methoxypyridine-4-carbonyl)piperazine-2-carboxamide
CID 105064126
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
(2S)-N-(pyridin-3-ylmethyl)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperazine-2-carboxamide
CID 95707917

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 95727694) is (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is Cn1c(C(=O)N2CCNC[C@@H]2C(=O)NCc2ccncc2)cc2ccccc21.
What is the InChIKey of (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is WUPSRJYDOOMPQA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-17-5-3-2-4-16(17)12-18(25)21(28)26-11-10-23-14-19(26)20(27)24-13-15-6-8-22-9-7-15/h2-9,12,19,23H,10-11,13-14H2,1H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 95727694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).