1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea

C20H28N4O — CID 18630645

IUPAC1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea
SMILESN#Cc1cccc(NC(=O)NC2(C3CCNCC3)CCCCCC2)c1
InChIInChI=1S/C20H28N4O/c21-15-16-6-5-7-18(14-16)23-19(25)24-20(10-3-1-2-4-11-20)17-8-12-22-13-9-17/h5-7,14,17,22H,1-4,8-13H2,(H2,23,24,25)
InChIKeyKIUVTZOZUDGZGF-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea

1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea (PubChem CID 18630645) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea
PubChem CID18630645
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea
SMILESN#Cc1cccc(NC(=O)NC2(C3CCNCC3)CCCCCC2)c1
InChIInChI=1S/C20H28N4O/c21-15-16-6-5-7-18(14-16)23-19(25)24-20(10-3-1-2-4-11-20)17-8-12-22-13-9-17/h5-7,14,17,22H,1-4,8-13H2,(H2,23,24,25)
InChIKeyKIUVTZOZUDGZGF-UHFFFAOYSA-N
XLogP3.77
TPSA76.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62526001
1-(3-cyanophenyl)-3-[1-(trifluoromethyl)cyclobutyl]urea
CID 127265839
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea (CID 18630645) is 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea is N#Cc1cccc(NC(=O)NC2(C3CCNCC3)CCCCCC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea?
The InChIKey is KIUVTZOZUDGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c21-15-16-6-5-7-18(14-16)23-19(25)24-20(10-3-1-2-4-11-20)17-8-12-22-13-9-17/h5-7,14,17,22H,1-4,8-13H2,(H2,23,24,25).
What are the key properties of 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea?
1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea has a molecular weight of 340.47 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(1-piperidin-4-ylcycloheptyl)urea is sourced from PubChem (CID 18630645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).