(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide

C19H26N4O2 — CID 95235828

IUPAC(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1c(CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)nc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-3-23-17-9-5-4-8-16(17)21-18(23)10-11-20-19(25)15-7-6-12-22(13-15)14(2)24/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3,(H,20,25)/t15-/m1/s1
InChIKeyXWIWSJDYZWNIFH-OAHLLOKOSA-N
MW342.44 g/mol
LogP1.97
Rot. Bonds5

About (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide

(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 95235828) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID95235828
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1c(CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)nc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-3-23-17-9-5-4-8-16(17)21-18(23)10-11-20-19(25)15-7-6-12-22(13-15)14(2)24/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3,(H,20,25)/t15-/m1/s1
InChIKeyXWIWSJDYZWNIFH-OAHLLOKOSA-N
XLogP1.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
(3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95235825
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
(3R)-1-(2-methoxyacetyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97116576
methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 99626639
1-[2-(1-ethylbenzimidazol-2-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122873
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975107
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide (CID 95235828) is (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide is CCn1c(CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)nc2ccccc21.
What is the InChIKey of (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is XWIWSJDYZWNIFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23-17-9-5-4-8-16(17)21-18(23)10-11-20-19(25)15-7-6-12-22(13-15)14(2)24/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95235828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).