(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide

C19H23N5O — CID 124890719

IUPAC(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide
SMILESCCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H23N5O/c1-2-23-12-10-21-18(23)17-5-3-4-11-24(17)19(25)22-15-7-6-14-8-9-20-16(14)13-15/h6-10,12-13,17,20H,2-5,11H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyZMZYQEDBTQKRCT-KRWDZBQOSA-N
MW337.43 g/mol
LogP4.14
Rot. Bonds3

About (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide

(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide (PubChem CID 124890719) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide
PubChem CID124890719
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide
SMILESCCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H23N5O/c1-2-23-12-10-21-18(23)17-5-3-4-11-24(17)19(25)22-15-7-6-14-8-9-20-16(14)13-15/h6-10,12-13,17,20H,2-5,11H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyZMZYQEDBTQKRCT-KRWDZBQOSA-N
XLogP4.14
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide (CID 124890719) is (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide is CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide?
The InChIKey is ZMZYQEDBTQKRCT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-23-12-10-21-18(23)17-5-3-4-11-24(17)19(25)22-15-7-6-14-8-9-20-16(14)13-15/h6-10,12-13,17,20H,2-5,11H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide?
(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124890719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).