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

C23H30N4O2 — CID 4310534

IUPAC1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)N3CCCCC3)c2)c1C
InChIInChI=1S/C23H30N4O2/c1-16-9-8-10-20(17(16)2)25-23(29)24-18-11-12-21(26(3)4)19(15-18)22(28)27-13-6-5-7-14-27/h8-12,15H,5-7,13-14H2,1-4H3,(H2,24,25,29)
InChIKeyASLURPZVWKXMCV-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.64
Rot. Bonds4

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

1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea (PubChem CID 4310534) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea
PubChem CID4310534
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)N3CCCCC3)c2)c1C
InChIInChI=1S/C23H30N4O2/c1-16-9-8-10-20(17(16)2)25-23(29)24-18-11-12-21(26(3)4)19(15-18)22(28)27-13-6-5-7-14-27/h8-12,15H,5-7,13-14H2,1-4H3,(H2,24,25,29)
InChIKeyASLURPZVWKXMCV-UHFFFAOYSA-N
XLogP4.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.64
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-methylphenyl)urea
CID 4310532
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-1-carboxamide
CID 4028194
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 3547504
3-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42747317
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea (CID 4310534) is 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)N3CCCCC3)c2)c1C.
What is the InChIKey of 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea?
The InChIKey is ASLURPZVWKXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-9-8-10-20(17(16)2)25-23(29)24-18-11-12-21(26(3)4)19(15-18)22(28)27-13-6-5-7-14-27/h8-12,15H,5-7,13-14H2,1-4H3,(H2,24,25,29).
What are the key properties of 1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea?
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea has a molecular weight of 394.52 g/mol, XLogP of 4.64, 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-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 4310534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).