(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide

C19H27N5O2 — CID 97148275

IUPAC(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
SMILESCn1c(CCCNC(=O)[C@@H]2CCCN(CC(N)=O)C2)nc2ccccc21
InChIInChI=1S/C19H27N5O2/c1-23-16-8-3-2-7-15(16)22-18(23)9-4-10-21-19(26)14-6-5-11-24(12-14)13-17(20)25/h2-3,7-8,14H,4-6,9-13H2,1H3,(H2,20,25)(H,21,26)/t14-/m1/s1
InChIKeyKAHKEDDGOCUPPM-CQSZACIVSA-N
MW357.46 g/mol
LogP0.82
Rot. Bonds7

About (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide

(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide (PubChem CID 97148275) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
PubChem CID97148275
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
SMILESCn1c(CCCNC(=O)[C@@H]2CCCN(CC(N)=O)C2)nc2ccccc21
InChIInChI=1S/C19H27N5O2/c1-23-16-8-3-2-7-15(16)22-18(23)9-4-10-21-19(26)14-6-5-11-24(12-14)13-17(20)25/h2-3,7-8,14H,4-6,9-13H2,1H3,(H2,20,25)(H,21,26)/t14-/m1/s1
InChIKeyKAHKEDDGOCUPPM-CQSZACIVSA-N
XLogP0.82
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
(3S)-1-(furan-2-ylmethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97282886
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
(3R)-1-(2-methoxyacetyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97116576
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 56792618
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 71710226
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide (CID 97148275) is (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide is Cn1c(CCCNC(=O)[C@@H]2CCCN(CC(N)=O)C2)nc2ccccc21.
What is the InChIKey of (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide?
The InChIKey is KAHKEDDGOCUPPM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-23-16-8-3-2-7-15(16)22-18(23)9-4-10-21-19(26)14-6-5-11-24(12-14)13-17(20)25/h2-3,7-8,14H,4-6,9-13H2,1H3,(H2,20,25)(H,21,26)/t14-/m1/s1.
What are the key properties of (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide?
(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 97148275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).