(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide

C18H25N5O2 — CID 99584356

IUPAC(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H25N5O2/c1-19-17(24)13-6-5-11-23(12-13)18(25)20-10-4-9-16-21-14-7-2-3-8-15(14)22-16/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,19,24)(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeyQGWXFECEARSXRG-CYBMUJFWSA-N
MW343.43 g/mol
LogP1.66
Rot. Bonds5

About (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide

(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide (PubChem CID 99584356) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
PubChem CID99584356
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H25N5O2/c1-19-17(24)13-6-5-11-23(12-13)18(25)20-10-4-9-16-21-14-7-2-3-8-15(14)22-16/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,19,24)(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeyQGWXFECEARSXRG-CYBMUJFWSA-N
XLogP1.66
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
CID 56807296
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 86800699
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
CID 71973726
N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 75489517
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazine-1-carboxamide
CID 136534323
(3S)-3-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97196027
(2R,3R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2,3-dimethylthiomorpholine-4-carboxamide
CID 95771576
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
CID 112815362

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide (CID 99584356) is (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide is CNC(=O)[C@@H]1CCCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The InChIKey is QGWXFECEARSXRG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-19-17(24)13-6-5-11-23(12-13)18(25)20-10-4-9-16-21-14-7-2-3-8-15(14)22-16/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,19,24)(H,20,25)(H,21,22)/t13-/m1/s1.
What are the key properties of (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide?
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 99584356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).