N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride

C21H33ClN4O2 — CID 119770793

IUPACN-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCOCCCn1c(NC(=O)CC(C)C2CCNCC2)nc2ccccc21.Cl
InChIInChI=1S/C21H32N4O2.ClH/c1-3-27-14-6-13-25-19-8-5-4-7-18(19)23-21(25)24-20(26)15-16(2)17-9-11-22-12-10-17;/h4-5,7-8,16-17,22H,3,6,9-15H2,1-2H3,(H,23,24,26);1H
InChIKeyRAFWEZPHGFMMSP-UHFFFAOYSA-N
MW408.97 g/mol
LogP3.85
Rot. Bonds9

About N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119770793) has the molecular formula C21H33ClN4O2 and a molecular weight of 408.97 g/mol. Its IUPAC name is N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119770793
Molecular FormulaC21H33ClN4O2
Molecular Weight408.97 g/mol
Exact Mass408.23
IUPAC NameN-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCOCCCn1c(NC(=O)CC(C)C2CCNCC2)nc2ccccc21.Cl
InChIInChI=1S/C21H32N4O2.ClH/c1-3-27-14-6-13-25-19-8-5-4-7-18(19)23-21(25)24-20(26)15-16(2)17-9-11-22-12-10-17;/h4-5,7-8,16-17,22H,3,6,9-15H2,1-2H3,(H,23,24,26);1H
InChIKeyRAFWEZPHGFMMSP-UHFFFAOYSA-N
XLogP3.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 53.85
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-(1-ethylbenzimidazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119678519
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 119770786
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119866323
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
(2S,5R)-5-(aminomethyl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120791823
3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
CID 119770789
(2S,5R)-5-(aminomethyl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]oxolane-2-carboxamide
CID 120791824
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 97029603
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
ethyl 4-[2-(piperidin-4-ylamino)benzimidazol-1-yl]butanoate;hydroiodide
CID 86756600
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119770793) is N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is CCOCCCn1c(NC(=O)CC(C)C2CCNCC2)nc2ccccc21.Cl.
What is the InChIKey of N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is RAFWEZPHGFMMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2.ClH/c1-3-27-14-6-13-25-19-8-5-4-7-18(19)23-21(25)24-20(26)15-16(2)17-9-11-22-12-10-17;/h4-5,7-8,16-17,22H,3,6,9-15H2,1-2H3,(H,23,24,26);1H.
What are the key properties of N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119770793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).