1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea

C26H34N4O2 — CID 1065193

IUPAC1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C26H34N4O2/c1-19(2)20-8-10-21(11-9-20)27-26(32)28-22-12-13-24(29-14-4-3-5-15-29)23(18-22)25(31)30-16-6-7-17-30/h8-13,18-19H,3-7,14-17H2,1-2H3,(H2,27,28,32)
InChIKeyHXDXFOAZYVOONL-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.68
Rot. Bonds5

About 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea

1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 1065193) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID1065193
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C26H34N4O2/c1-19(2)20-8-10-21(11-9-20)27-26(32)28-22-12-13-24(29-14-4-3-5-15-29)23(18-22)25(31)30-16-6-7-17-30/h8-13,18-19H,3-7,14-17H2,1-2H3,(H2,27,28,32)
InChIKeyHXDXFOAZYVOONL-UHFFFAOYSA-N
XLogP5.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 5140990
1-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 1064185
1-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42660816
ethyl 4-[[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]benzoate
CID 1065179
1-(2,4-dimethylphenyl)-3-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1065200
1-(3-ethylphenyl)-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 1064188
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756351
2,2-dichloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]acetamide
CID 1063786
N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 3992320
ethyl 4-[[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate
CID 1065398
1-(3-ethylphenyl)-3-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 1065415
1-butyl-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 42751582

Frequently Asked Questions

What is the IUPAC name of 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea (CID 1065193) is 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is HXDXFOAZYVOONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-19(2)20-8-10-21(11-9-20)27-26(32)28-22-12-13-24(29-14-4-3-5-15-29)23(18-22)25(31)30-16-6-7-17-30/h8-13,18-19H,3-7,14-17H2,1-2H3,(H2,27,28,32).
What are the key properties of 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea?
1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 434.58 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 1065193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).