N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C23H29N3O2S — CID 43053338

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C23H29N3O2S/c27-22(19-10-6-14-26(17-19)23(28)21-11-7-15-29-21)24-16-20(25-12-4-5-13-25)18-8-2-1-3-9-18/h1-3,7-9,11,15,19-20H,4-6,10,12-14,16-17H2,(H,24,27)
InChIKeyPVKGRKAVVYKXCX-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.55
Rot. Bonds6

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 43053338) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID43053338
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C23H29N3O2S/c27-22(19-10-6-14-26(17-19)23(28)21-11-7-15-29-21)24-16-20(25-12-4-5-13-25)18-8-2-1-3-9-18/h1-3,7-9,11,15,19-20H,4-6,10,12-14,16-17H2,(H,24,27)
InChIKeyPVKGRKAVVYKXCX-UHFFFAOYSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933493
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053321
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
(3R)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784230
(3R)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784232
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 43053338) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is PVKGRKAVVYKXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c27-22(19-10-6-14-26(17-19)23(28)21-11-7-15-29-21)24-16-20(25-12-4-5-13-25)18-8-2-1-3-9-18/h1-3,7-9,11,15,19-20H,4-6,10,12-14,16-17H2,(H,24,27).
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43053338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).