3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide

C25H34N4O3 — CID 86954958

IUPAC3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide
SMILESCOc1ccc(C2C(CNC(=O)CC(NC(N)=O)c3ccccc3C)CCCN2C)cc1
InChIInChI=1S/C25H34N4O3/c1-17-7-4-5-9-21(17)22(28-25(26)31)15-23(30)27-16-19-8-6-14-29(2)24(19)18-10-12-20(32-3)13-11-18/h4-5,7,9-13,19,22,24H,6,8,14-16H2,1-3H3,(H,27,30)(H3,26,28,31)
InChIKeyQQHJRYUTPVBPDS-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.30
Rot. Bonds8

About 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide

3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide (PubChem CID 86954958) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide
PubChem CID86954958
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide
SMILESCOc1ccc(C2C(CNC(=O)CC(NC(N)=O)c3ccccc3C)CCCN2C)cc1
InChIInChI=1S/C25H34N4O3/c1-17-7-4-5-9-21(17)22(28-25(26)31)15-23(30)27-16-19-8-6-14-29(2)24(19)18-10-12-20(32-3)13-11-18/h4-5,7,9-13,19,22,24H,6,8,14-16H2,1-3H3,(H,27,30)(H3,26,28,31)
InChIKeyQQHJRYUTPVBPDS-UHFFFAOYSA-N
XLogP3.30
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
CID 86954895
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111814516
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
CID 119619279
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111814515
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954866
2-(3-acetylphenoxy)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954979
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methyl-3-nitrobenzamide
CID 86955076

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide (CID 86954958) is 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide is COc1ccc(C2C(CNC(=O)CC(NC(N)=O)c3ccccc3C)CCCN2C)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide?
The InChIKey is QQHJRYUTPVBPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-17-7-4-5-9-21(17)22(28-25(26)31)15-23(30)27-16-19-8-6-14-29(2)24(19)18-10-12-20(32-3)13-11-18/h4-5,7,9-13,19,22,24H,6,8,14-16H2,1-3H3,(H,27,30)(H3,26,28,31).
What are the key properties of 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide?
3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide has a molecular weight of 438.57 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 86954958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).