3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide

C19H26N4O2 — CID 166205438

IUPAC3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide
SMILESCC1(CNC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)CCOC1
InChIInChI=1S/C19H26N4O2/c1-19(8-10-25-13-19)12-20-18(24)23-9-4-5-14(11-23)17-21-15-6-2-3-7-16(15)22-17/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,20,24)(H,21,22)
InChIKeyMEBTXHFREAKLJV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.88
Rot. Bonds3

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

3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 166205438) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide
PubChem CID166205438
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide
SMILESCC1(CNC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)CCOC1
InChIInChI=1S/C19H26N4O2/c1-19(8-10-25-13-19)12-20-18(24)23-9-4-5-14(11-23)17-21-15-6-2-3-7-16(15)22-17/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,20,24)(H,21,22)
InChIKeyMEBTXHFREAKLJV-UHFFFAOYSA-N
XLogP2.88
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-1,4-dioxan-2-yl]methanone
CID 94166723
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 55696056

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide (CID 166205438) is 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide is CC1(CNC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)CCOC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is MEBTXHFREAKLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(8-10-25-13-19)12-20-18(24)23-9-4-5-14(11-23)17-21-15-6-2-3-7-16(15)22-17/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide?
3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166205438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).