(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide

C22H34N4O — CID 93015133

IUPAC(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CCn1c(N2CCC[C@H](C(=O)NCC(C)C)C2)nc2ccccc21
InChIInChI=1S/C22H34N4O/c1-16(2)11-13-26-20-10-6-5-9-19(20)24-22(26)25-12-7-8-18(15-25)21(27)23-14-17(3)4/h5-6,9-10,16-18H,7-8,11-15H2,1-4H3,(H,23,27)/t18-/m0/s1
InChIKeyKKRAOBKYDKSBJC-SFHVURJKSA-N
MW370.54 g/mol
LogP4.07
Rot. Bonds7

About (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide

(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 93015133) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID93015133
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CCn1c(N2CCC[C@H](C(=O)NCC(C)C)C2)nc2ccccc21
InChIInChI=1S/C22H34N4O/c1-16(2)11-13-26-20-10-6-5-9-19(20)24-22(26)25-12-7-8-18(15-25)21(27)23-14-17(3)4/h5-6,9-10,16-18H,7-8,11-15H2,1-4H3,(H,23,27)/t18-/m0/s1
InChIKeyKKRAOBKYDKSBJC-SFHVURJKSA-N
XLogP4.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46108681
(3S)-1-(1-butylbenzimidazol-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93016409
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93015043
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 93015133) is (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CCn1c(N2CCC[C@H](C(=O)NCC(C)C)C2)nc2ccccc21.
What is the InChIKey of (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is KKRAOBKYDKSBJC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H34N4O/c1-16(2)11-13-26-20-10-6-5-9-19(20)24-22(26)25-12-7-8-18(15-25)21(27)23-14-17(3)4/h5-6,9-10,16-18H,7-8,11-15H2,1-4H3,(H,23,27)/t18-/m0/s1.
What are the key properties of (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide?
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 93015133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).