N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

C24H31N3O3 — CID 136534290

IUPACN-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)N3CCC(CN4CCCCC4)C3)cc2)c1
InChIInChI=1S/C24H31N3O3/c1-29-22-6-5-7-23(16-22)30-21-10-8-20(9-11-21)25-24(28)27-15-12-19(18-27)17-26-13-3-2-4-14-26/h5-11,16,19H,2-4,12-15,17-18H2,1H3,(H,25,28)
InChIKeyUGRKTLYKUNOPDX-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.83
Rot. Bonds6

About N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 136534290) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID136534290
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)N3CCC(CN4CCCCC4)C3)cc2)c1
InChIInChI=1S/C24H31N3O3/c1-29-22-6-5-7-23(16-22)30-21-10-8-20(9-11-21)25-24(28)27-15-12-19(18-27)17-26-13-3-2-4-14-26/h5-11,16,19H,2-4,12-15,17-18H2,1H3,(H,25,28)
InChIKeyUGRKTLYKUNOPDX-UHFFFAOYSA-N
XLogP4.83
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
(1S,5R)-6-[(dimethylamino)methyl]-N-[4-(3-methoxyphenoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72930401
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
(3R)-N-(1-methylindol-6-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99820655
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
CID 97274473
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 131909515

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 136534290) is N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is COc1cccc(Oc2ccc(NC(=O)N3CCC(CN4CCCCC4)C3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is UGRKTLYKUNOPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-22-6-5-7-23(16-22)30-21-10-8-20(9-11-21)25-24(28)27-15-12-19(18-27)17-26-13-3-2-4-14-26/h5-11,16,19H,2-4,12-15,17-18H2,1H3,(H,25,28).
What are the key properties of N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136534290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).