N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide

C21H32N4O — CID 119836776

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
SMILESCC(C)CC(NC(=O)CC(C)C1CCCNC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H32N4O/c1-14(2)11-19(21-24-17-8-4-5-9-18(17)25-21)23-20(26)12-15(3)16-7-6-10-22-13-16/h4-5,8-9,14-16,19,22H,6-7,10-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyLTJDSYGOTPHNQP-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.79
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide (PubChem CID 119836776) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
PubChem CID119836776
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
SMILESCC(C)CC(NC(=O)CC(C)C1CCCNC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H32N4O/c1-14(2)11-19(21-24-17-8-4-5-9-18(17)25-21)23-20(26)12-15(3)16-7-6-10-22-13-16/h4-5,8-9,14-16,19,22H,6-7,10-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyLTJDSYGOTPHNQP-UHFFFAOYSA-N
XLogP3.79
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119816785
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]oxolane-2-carboxamide
CID 40939596
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
CID 120594898
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-(1-ethylbenzimidazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119678519
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55430587

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide (CID 119836776) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide is CC(C)CC(NC(=O)CC(C)C1CCCNC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide?
The InChIKey is LTJDSYGOTPHNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-14(2)11-19(21-24-17-8-4-5-9-18(17)25-21)23-20(26)12-15(3)16-7-6-10-22-13-16/h4-5,8-9,14-16,19,22H,6-7,10-13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide has a molecular weight of 356.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119836776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).