1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea

C24H28N4O3 — CID 25133415

IUPAC1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
SMILESCc1ccc(C(=O)N2CCC(O)(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)C
InChIInChI=1S/C24H28N4O3/c1-16(2)26-23(30)27-21-14-19(7-4-17(21)3)22(29)28-12-10-24(31,11-13-28)20-8-5-18(15-25)6-9-20/h4-9,14,16,31H,10-13H2,1-3H3,(H2,26,27,30)
InChIKeyUDTUSENJOIDEPD-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.52
Rot. Bonds4

About 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea

1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea (PubChem CID 25133415) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
PubChem CID25133415
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
SMILESCc1ccc(C(=O)N2CCC(O)(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)C
InChIInChI=1S/C24H28N4O3/c1-16(2)26-23(30)27-21-14-19(7-4-17(21)3)22(29)28-12-10-24(31,11-13-28)20-8-5-18(15-25)6-9-20/h4-9,14,16,31H,10-13H2,1-3H3,(H2,26,27,30)
InChIKeyUDTUSENJOIDEPD-UHFFFAOYSA-N
XLogP3.52
TPSA105.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 25132744
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]-3-methylbutanamide
CID 91449961
2-(azetidin-1-yl)-N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-methylphenyl]pyrimidine-5-carboxamide
CID 70872231
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]acetic acid
CID 68950872
1-[5-[4-(3-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 68953307
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(2,2-dimethylpropyl)urea
CID 25128972
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-(3-methylbutan-2-yl)urea
CID 143698584
1-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-3-cyclopentylurea
CID 70872700
1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 68954757
1-(5-cyano-2-methylphenyl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 94826096

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea (CID 25133415) is 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea is Cc1ccc(C(=O)N2CCC(O)(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)C.
What is the InChIKey of 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The InChIKey is UDTUSENJOIDEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(2)26-23(30)27-21-14-19(7-4-17(21)3)22(29)28-12-10-24(31,11-13-28)20-8-5-18(15-25)6-9-20/h4-9,14,16,31H,10-13H2,1-3H3,(H2,26,27,30).
What are the key properties of 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea has a molecular weight of 420.51 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea is sourced from PubChem (CID 25133415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).