N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide

C25H34N4O2 — CID 139834877

IUPACN-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccccc1C1CCN(CCN(C(=O)CN2CCCC2)c2ccccn2)CC1
InChIInChI=1S/C25H34N4O2/c1-31-23-9-3-2-8-22(23)21-11-16-27(17-12-21)18-19-29(24-10-4-5-13-26-24)25(30)20-28-14-6-7-15-28/h2-5,8-10,13,21H,6-7,11-12,14-20H2,1H3
InChIKeyXMQCSMYJEHSZIJ-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.40
Rot. Bonds8

About N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide

N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 139834877) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
PubChem CID139834877
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccccc1C1CCN(CCN(C(=O)CN2CCCC2)c2ccccn2)CC1
InChIInChI=1S/C25H34N4O2/c1-31-23-9-3-2-8-22(23)21-11-16-27(17-12-21)18-19-29(24-10-4-5-13-26-24)25(30)20-28-14-6-7-15-28/h2-5,8-10,13,21H,6-7,11-12,14-20H2,1H3
InChIKeyXMQCSMYJEHSZIJ-UHFFFAOYSA-N
XLogP3.40
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461957
N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 67628614
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
N-[2-(3-naphthalen-1-ylpyrrolidin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70341261
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 67625685
N-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70339130
1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 71752990
[2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134700249
N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
CID 23170136
1-(hydroxymethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 140642007
N-[2-[(3R)-3-naphthalen-2-ylpyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461956

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide (CID 139834877) is N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide is COc1ccccc1C1CCN(CCN(C(=O)CN2CCCC2)c2ccccn2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is XMQCSMYJEHSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-31-23-9-3-2-8-22(23)21-11-16-27(17-12-21)18-19-29(24-10-4-5-13-26-24)25(30)20-28-14-6-7-15-28/h2-5,8-10,13,21H,6-7,11-12,14-20H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide?
N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 422.57 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 139834877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).