1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide

C24H31N3O3 — CID 46981136

IUPAC1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2cccc(CN3CCC(C(N)=O)(N4CCOCC4)CC3)c2)c1
InChIInChI=1S/C24H31N3O3/c1-29-22-7-3-6-21(17-22)20-5-2-4-19(16-20)18-26-10-8-24(9-11-26,23(25)28)27-12-14-30-15-13-27/h2-7,16-17H,8-15,18H2,1H3,(H2,25,28)
InChIKeyVBQFCJCFHODYAW-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.51
Rot. Bonds6

About 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide

1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide (PubChem CID 46981136) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide
PubChem CID46981136
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2cccc(CN3CCC(C(N)=O)(N4CCOCC4)CC3)c2)c1
InChIInChI=1S/C24H31N3O3/c1-29-22-7-3-6-21(17-22)20-5-2-4-19(16-20)18-26-10-8-24(9-11-26,23(25)28)27-12-14-30-15-13-27/h2-7,16-17H,8-15,18H2,1H3,(H2,25,28)
InChIKeyVBQFCJCFHODYAW-UHFFFAOYSA-N
XLogP2.51
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
(4S)-2-[(3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440237
(Z)-but-2-enedioic acid;2-[4-[[3-(3-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 70248111
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
1-[(4-methoxy-3-pyrazin-2-ylphenyl)methyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 166616619
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511779
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 136522349
9-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 146674196

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide (CID 46981136) is 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide is COc1cccc(-c2cccc(CN3CCC(C(N)=O)(N4CCOCC4)CC3)c2)c1.
What is the InChIKey of 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide?
The InChIKey is VBQFCJCFHODYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-22-7-3-6-21(17-22)20-5-2-4-19(16-20)18-26-10-8-24(9-11-26,23(25)28)27-12-14-30-15-13-27/h2-7,16-17H,8-15,18H2,1H3,(H2,25,28).
What are the key properties of 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide?
1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methoxyphenyl)phenyl]methyl]-4-morpholin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46981136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).