N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide

C20H28N4O2 — CID 118769145

IUPACN-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1nc2ccc(CNC(=O)C3CCN(C4CCOCC4)CC3)cc2[nH]1
InChIInChI=1S/C20H28N4O2/c1-14-22-18-3-2-15(12-19(18)23-14)13-21-20(25)16-4-8-24(9-5-16)17-6-10-26-11-7-17/h2-3,12,16-17H,4-11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyFXQRAVUKVCVIMQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.38
Rot. Bonds4

About N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide

N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 118769145) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID118769145
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1nc2ccc(CNC(=O)C3CCN(C4CCOCC4)CC3)cc2[nH]1
InChIInChI=1S/C20H28N4O2/c1-14-22-18-3-2-15(12-19(18)23-14)13-21-20(25)16-4-8-24(9-5-16)17-6-10-26-11-7-17/h2-3,12,16-17H,4-11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyFXQRAVUKVCVIMQ-UHFFFAOYSA-N
XLogP2.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
(3R,6S)-6-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)azepane-3-carboxamide
CID 165420903
(3R,6S)-6-amino-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)azepane-3-carboxamide;dihydrochloride
CID 166598145
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
4-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172671485
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 99983930
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46359077
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide (CID 118769145) is N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide is Cc1nc2ccc(CNC(=O)C3CCN(C4CCOCC4)CC3)cc2[nH]1.
What is the InChIKey of N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is FXQRAVUKVCVIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-22-18-3-2-15(12-19(18)23-14)13-21-20(25)16-4-8-24(9-5-16)17-6-10-26-11-7-17/h2-3,12,16-17H,4-11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118769145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).