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

C18H24N4O2 — CID 94585398

IUPAC(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H24N4O2/c23-18(19-11-14-6-4-10-24-14)22-9-3-5-13(12-22)17-20-15-7-1-2-8-16(15)21-17/h1-2,7-8,13-14H,3-6,9-12H2,(H,19,23)(H,20,21)/t13-,14-/m0/s1
InChIKeyJQEUDUOFQWMVEZ-KBPBESRZSA-N
MW328.42 g/mol
LogP2.63
Rot. Bonds3

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

(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide (PubChem CID 94585398) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
PubChem CID94585398
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H24N4O2/c23-18(19-11-14-6-4-10-24-14)22-9-3-5-13(12-22)17-20-15-7-1-2-8-16(15)21-17/h1-2,7-8,13-14H,3-6,9-12H2,(H,19,23)(H,20,21)/t13-,14-/m0/s1
InChIKeyJQEUDUOFQWMVEZ-KBPBESRZSA-N
XLogP2.63
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 3689763
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 94093377
3-(1H-benzimidazol-2-yl)-N-[(3-methyloxolan-3-yl)methyl]piperidine-1-carboxamide
CID 166205438
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide (CID 94585398) is (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide is O=C(NC[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The InChIKey is JQEUDUOFQWMVEZ-KBPBESRZSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(19-11-14-6-4-10-24-14)22-9-3-5-13(12-22)17-20-15-7-1-2-8-16(15)21-17/h1-2,7-8,13-14H,3-6,9-12H2,(H,19,23)(H,20,21)/t13-,14-/m0/s1.
What are the key properties of (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 94585398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).