(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C19H23N5OS — CID 124831271

IUPAC(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCCn1c(CN2CCC[C@@H](C(=O)Nc3nccs3)C2)nc2ccccc21
InChIInChI=1S/C19H23N5OS/c1-2-24-16-8-4-3-7-15(16)21-17(24)13-23-10-5-6-14(12-23)18(25)22-19-20-9-11-26-19/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3,(H,20,22,25)/t14-/m1/s1
InChIKeyPABXWRJTTQTBDX-CQSZACIVSA-N
MW369.49 g/mol
LogP3.36
Rot. Bonds5

About (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 124831271) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID124831271
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCCn1c(CN2CCC[C@@H](C(=O)Nc3nccs3)C2)nc2ccccc21
InChIInChI=1S/C19H23N5OS/c1-2-24-16-8-4-3-7-15(16)21-17(24)13-23-10-5-6-14(12-23)18(25)22-19-20-9-11-26-19/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3,(H,20,22,25)/t14-/m1/s1
InChIKeyPABXWRJTTQTBDX-CQSZACIVSA-N
XLogP3.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
(3R)-N-(4-bromophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831109
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
(3S)-N-(2,5-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124830402
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 124820717
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 124799800
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124805524
[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 29185395
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 124835412

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 124831271) is (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is CCn1c(CN2CCC[C@@H](C(=O)Nc3nccs3)C2)nc2ccccc21.
What is the InChIKey of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is PABXWRJTTQTBDX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-2-24-16-8-4-3-7-15(16)21-17(24)13-23-10-5-6-14(12-23)18(25)22-19-20-9-11-26-19/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3,(H,20,22,25)/t14-/m1/s1.
What are the key properties of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 124831271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).