N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C23H36N4O2 — CID 78888436

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCOc1ccccc1C(CNC(=O)N1CCC(N2CCCC2)CC1)N1CCCC1
InChIInChI=1S/C23H36N4O2/c1-29-22-9-3-2-8-20(22)21(26-14-6-7-15-26)18-24-23(28)27-16-10-19(11-17-27)25-12-4-5-13-25/h2-3,8-9,19,21H,4-7,10-18H2,1H3,(H,24,28)
InChIKeyVZGSGBSZAVAWOU-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 78888436) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID78888436
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCOc1ccccc1C(CNC(=O)N1CCC(N2CCCC2)CC1)N1CCCC1
InChIInChI=1S/C23H36N4O2/c1-29-22-9-3-2-8-20(22)21(26-14-6-7-15-26)18-24-23(28)27-16-10-19(11-17-27)25-12-4-5-13-25/h2-3,8-9,19,21H,4-7,10-18H2,1H3,(H,24,28)
InChIKeyVZGSGBSZAVAWOU-UHFFFAOYSA-N
XLogP3.10
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.10
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
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
CID 21256622
N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide
CID 70248448
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119830716
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea
CID 110622092
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
(2S,4S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631303
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 78888436) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is COc1ccccc1C(CNC(=O)N1CCC(N2CCCC2)CC1)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is VZGSGBSZAVAWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-29-22-9-3-2-8-20(22)21(26-14-6-7-15-26)18-24-23(28)27-16-10-19(11-17-27)25-12-4-5-13-25/h2-3,8-9,19,21H,4-7,10-18H2,1H3,(H,24,28).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 78888436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).