1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide

C22H27N3O4 — CID 51124631

IUPAC1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCCC(C(N)=O)C3)cc2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-28-19-10-5-15(12-20(19)29-2)13-24-22(27)16-6-8-18(9-7-16)25-11-3-4-17(14-25)21(23)26/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyUMYBNJCQECFPTP-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.34
Rot. Bonds7

About 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide

1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 51124631) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
PubChem CID51124631
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCCC(C(N)=O)C3)cc2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-28-19-10-5-15(12-20(19)29-2)13-24-22(27)16-6-8-18(9-7-16)25-11-3-4-17(14-25)21(23)26/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyUMYBNJCQECFPTP-UHFFFAOYSA-N
XLogP2.34
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
(3S)-1-[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 51966572
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 51120625
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9404185
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide (CID 51124631) is 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(N3CCCC(C(N)=O)C3)cc2)cc1OC.
What is the InChIKey of 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is UMYBNJCQECFPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-19-10-5-15(12-20(19)29-2)13-24-22(27)16-6-8-18(9-7-16)25-11-3-4-17(14-25)21(23)26/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H2,23,26)(H,24,27).
What are the key properties of 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide?
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 51124631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).