1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea

C22H28N4O2 — CID 4310532

IUPAC1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N4O2/c1-16-9-5-6-10-19(16)24-22(28)23-17-11-12-20(25(2)3)18(15-17)21(27)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H2,23,24,28)
InChIKeyXPUWTLYYTKHRAN-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea

1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea (PubChem CID 4310532) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
PubChem CID4310532
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N4O2/c1-16-9-5-6-10-19(16)24-22(28)23-17-11-12-20(25(2)3)18(15-17)21(27)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H2,23,24,28)
InChIKeyXPUWTLYYTKHRAN-UHFFFAOYSA-N
XLogP4.33
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.33
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-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 4310534
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
1-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42747797
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 3547504
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
CID 5204789

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea (CID 4310532) is 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea?
The InChIKey is XPUWTLYYTKHRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-9-5-6-10-19(16)24-22(28)23-17-11-12-20(25(2)3)18(15-17)21(27)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H2,23,24,28).
What are the key properties of 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea?
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea has a molecular weight of 380.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 4310532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).