1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea

C19H29N3O — CID 108902937

IUPAC1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O/c23-19(20-15-16-7-3-1-4-8-16)21-17-9-11-18(12-10-17)22-13-5-2-6-14-22/h9-12,16H,1-8,13-15H2,(H2,20,21,23)
InChIKeyJKYOTWSHQQAKQZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.38
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea

1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 108902937) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
PubChem CID108902937
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O/c23-19(20-15-16-7-3-1-4-8-16)21-17-9-11-18(12-10-17)22-13-5-2-6-14-22/h9-12,16H,1-8,13-15H2,(H2,20,21,23)
InChIKeyJKYOTWSHQQAKQZ-UHFFFAOYSA-N
XLogP4.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
1-(2-cyclohexylethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108888595
1-[(3-hydroxycyclohexyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 111473469
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
N-ethyl-2-[(4-piperidin-1-ylphenyl)carbamoylamino]acetamide
CID 86986680
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60611862
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea (CID 108902937) is 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea is O=C(NCC1CCCCC1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is JKYOTWSHQQAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(20-15-16-7-3-1-4-8-16)21-17-9-11-18(12-10-17)22-13-5-2-6-14-22/h9-12,16H,1-8,13-15H2,(H2,20,21,23).
What are the key properties of 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea?
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 315.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 108902937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).