(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide

C26H39N3O3 — CID 95761647

IUPAC(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)N1CCCCC1
InChIInChI=1S/C26H39N3O3/c1-32-24-15-7-6-13-21(24)23(28-16-8-3-9-17-28)19-27-25(30)22-14-10-18-29(22)26(31)20-11-4-2-5-12-20/h6-7,13,15,20,22-23H,2-5,8-12,14,16-19H2,1H3,(H,27,30)/t22-,23+/m1/s1
InChIKeyYWKJMAUFUWKFFU-PKTZIBPZSA-N
MW441.62 g/mol
LogP3.91
Rot. Bonds7

About (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide

(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 95761647) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
PubChem CID95761647
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)N1CCCCC1
InChIInChI=1S/C26H39N3O3/c1-32-24-15-7-6-13-21(24)23(28-16-8-3-9-17-28)19-27-25(30)22-14-10-18-29(22)26(31)20-11-4-2-5-12-20/h6-7,13,15,20,22-23H,2-5,8-12,14,16-19H2,1H3,(H,27,30)/t22-,23+/m1/s1
InChIKeyYWKJMAUFUWKFFU-PKTZIBPZSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide
CID 97092540
(2R)-1-(cyclohexanecarbonyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide
CID 97092542
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119830716
(3S)-4-(2,2-difluoroethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]morpholine-3-carboxamide
CID 100613737
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
(2S,4S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631303
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
ethyl 1-[N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994312
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112504090
(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 97211501

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide (CID 95761647) is (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide is COc1ccccc1[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)N1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is YWKJMAUFUWKFFU-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-32-24-15-7-6-13-21(24)23(28-16-8-3-9-17-28)19-27-25(30)22-14-10-18-29(22)26(31)20-11-4-2-5-12-20/h6-7,13,15,20,22-23H,2-5,8-12,14,16-19H2,1H3,(H,27,30)/t22-,23+/m1/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95761647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).