1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea

C24H31N3O3 — CID 68954757

IUPAC1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
SMILESCOc1cccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)NC(C)C)c3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-16(2)25-24(29)26-22-15-20(9-8-17(22)3)23(28)27-12-10-18(11-13-27)19-6-5-7-21(14-19)30-4/h5-9,14-16,18H,10-13H2,1-4H3,(H2,25,26,29)
InChIKeyABBHLLWUMUPZMH-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.55
Rot. Bonds5

About 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea

1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea (PubChem CID 68954757) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
PubChem CID68954757
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
SMILESCOc1cccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)NC(C)C)c3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-16(2)25-24(29)26-22-15-20(9-8-17(22)3)23(28)27-12-10-18(11-13-27)19-6-5-7-21(14-19)30-4/h5-9,14-16,18H,10-13H2,1-4H3,(H2,25,26,29)
InChIKeyABBHLLWUMUPZMH-UHFFFAOYSA-N
XLogP4.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-(3-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 68953307
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]-3-methylbutanamide
CID 91449961
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 25132744
N-[2-methyl-5-(4-phenylazepane-1-carbonyl)phenyl]pyrimidine-5-carboxamide
CID 172664236
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
2-methoxy-N-[2-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]phenyl]propanamide
CID 172661191

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea (CID 68954757) is 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea is COc1cccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)NC(C)C)c3)CC2)c1.
What is the InChIKey of 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The InChIKey is ABBHLLWUMUPZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-16(2)25-24(29)26-22-15-20(9-8-17(22)3)23(28)27-12-10-18(11-13-27)19-6-5-7-21(14-19)30-4/h5-9,14-16,18H,10-13H2,1-4H3,(H2,25,26,29).
What are the key properties of 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea has a molecular weight of 409.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea is sourced from PubChem (CID 68954757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).