(3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide

C19H25FN4O — CID 95309988

IUPAC(3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCCn1c(CN2CCC[C@@H](C(=O)NC3CC3)C2)nc2c(F)cccc21
InChIInChI=1S/C19H25FN4O/c1-2-24-16-7-3-6-15(20)18(16)22-17(24)12-23-10-4-5-13(11-23)19(25)21-14-8-9-14/h3,6-7,13-14H,2,4-5,8-12H2,1H3,(H,21,25)/t13-/m1/s1
InChIKeyPTQQWDNGHMWXOO-CYBMUJFWSA-N
MW344.43 g/mol
LogP2.69
Rot. Bonds5

About (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 95309988) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID95309988
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name(3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCCn1c(CN2CCC[C@@H](C(=O)NC3CC3)C2)nc2c(F)cccc21
InChIInChI=1S/C19H25FN4O/c1-2-24-16-7-3-6-15(20)18(16)22-17(24)12-23-10-4-5-13(11-23)19(25)21-14-8-9-14/h3,6-7,13-14H,2,4-5,8-12H2,1H3,(H,21,25)/t13-/m1/s1
InChIKeyPTQQWDNGHMWXOO-CYBMUJFWSA-N
XLogP2.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121128
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
(3R)-N-(4-bromophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831109
(3S)-N-(2,5-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124830402
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 124799800
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 124831271
N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 49442005
methyl 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 86807022
(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95188167

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 95309988) is (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide is CCn1c(CN2CCC[C@@H](C(=O)NC3CC3)C2)nc2c(F)cccc21.
What is the InChIKey of (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is PTQQWDNGHMWXOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-2-24-16-7-3-6-15(20)18(16)22-17(24)12-23-10-4-5-13(11-23)19(25)21-14-8-9-14/h3,6-7,13-14H,2,4-5,8-12H2,1H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95309988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).