N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide

C23H36N4O — CID 124821668

IUPACN,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCN(Cc2nc3ccccc3n2C(C)C)CC1)C(C)C
InChIInChI=1S/C23H36N4O/c1-16(2)26(17(3)4)23(28)19-11-13-25(14-12-19)15-22-24-20-9-7-8-10-21(20)27(22)18(5)6/h7-10,16-19H,11-15H2,1-6H3
InChIKeyLNLSTYRMSYTBES-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.47
Rot. Bonds6

About N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide

N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 124821668) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID124821668
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCN(Cc2nc3ccccc3n2C(C)C)CC1)C(C)C
InChIInChI=1S/C23H36N4O/c1-16(2)26(17(3)4)23(28)19-11-13-25(14-12-19)15-22-24-20-9-7-8-10-21(20)27(22)18(5)6/h7-10,16-19H,11-15H2,1-6H3
InChIKeyLNLSTYRMSYTBES-UHFFFAOYSA-N
XLogP4.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124805714
N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124822336
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124515974
[4-(2-methylphenyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124814232
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124807103
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124807147
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124822913
2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 77090480
(1S,5R)-3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122559237
3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 92581589
2-[3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]propyl]phenol
CID 70313269

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 124821668) is N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide is CC(C)N(C(=O)C1CCN(Cc2nc3ccccc3n2C(C)C)CC1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LNLSTYRMSYTBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-16(2)26(17(3)4)23(28)19-11-13-25(14-12-19)15-22-24-20-9-7-8-10-21(20)27(22)18(5)6/h7-10,16-19H,11-15H2,1-6H3.
What are the key properties of N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124821668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).