4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide

C19H22N4OS — CID 125448096

IUPAC4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccsc1
InChIInChI=1S/C19H22N4OS/c1-13(15-8-11-25-12-15)20-19(24)23-9-6-14(7-10-23)18-21-16-4-2-3-5-17(16)22-18/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyXYQZPPCOOAZVIG-ZDUSSCGKSA-N
MW354.48 g/mol
LogP4.27
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide

4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide (PubChem CID 125448096) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide
PubChem CID125448096
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccsc1
InChIInChI=1S/C19H22N4OS/c1-13(15-8-11-25-12-15)20-19(24)23-9-6-14(7-10-23)18-21-16-4-2-3-5-17(16)22-18/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyXYQZPPCOOAZVIG-ZDUSSCGKSA-N
XLogP4.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-[(1R)-1-thiophen-3-ylethyl]piperidine-1-carboxamide
CID 125448095
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
CID 45370047
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 55688096
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 55536470
(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one
CID 95585939

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide (CID 125448096) is 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccsc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide?
The InChIKey is XYQZPPCOOAZVIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13(15-8-11-25-12-15)20-19(24)23-9-6-14(7-10-23)18-21-16-4-2-3-5-17(16)22-18/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1.
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide?
4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[(1S)-1-thiophen-3-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 125448096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).