[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea

C20H29N3O2 — CID 102602951

IUPAC[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
SMILESNC(=O)NCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c21-20(25)22-14-18-8-4-5-13-23(18)19(24)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2,(H3,21,22,25)
InChIKeySOQJHAPHYXTZFW-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.01
Rot. Bonds4

About [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea

[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea (PubChem CID 102602951) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
PubChem CID102602951
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
SMILESNC(=O)NCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c21-20(25)22-14-18-8-4-5-13-23(18)19(24)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2,(H3,21,22,25)
InChIKeySOQJHAPHYXTZFW-UHFFFAOYSA-N
XLogP3.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119467931
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119467930
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246
[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 119765929
[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
CID 119313333
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
CID 124593040
[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
CID 100615038
[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
CID 95298468
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
CID 164641131
[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-2-yl]methylurea
CID 120929984
[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
CID 98572904

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea?
The IUPAC name of [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea (CID 102602951) is [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea.
What is the SMILES notation for [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea?
The canonical SMILES for [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea is NC(=O)NCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea?
The InChIKey is SOQJHAPHYXTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-20(25)22-14-18-8-4-5-13-23(18)19(24)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2,(H3,21,22,25).
What are the key properties of [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea?
[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea has a molecular weight of 343.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea is sourced from PubChem (CID 102602951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).