1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea

C19H34N4O2 — CID 120625762

IUPAC1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CCN1
InChIInChI=1S/C19H34N4O2/c1-14-13-15(7-10-20-14)18(24)23-11-8-17(9-12-23)22-19(25)21-16-5-3-2-4-6-16/h14-17,20H,2-13H2,1H3,(H2,21,22,25)/t14-,15-/m0/s1
InChIKeyFXOMSDJMRDRMOG-GJZGRUSLSA-N
MW350.51 g/mol
LogP2.00
Rot. Bonds3

About 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea

1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea (PubChem CID 120625762) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea
PubChem CID120625762
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CCN1
InChIInChI=1S/C19H34N4O2/c1-14-13-15(7-10-20-14)18(24)23-11-8-17(9-12-23)22-19(25)21-16-5-3-2-4-6-16/h14-17,20H,2-13H2,1H3,(H2,21,22,25)/t14-,15-/m0/s1
InChIKeyFXOMSDJMRDRMOG-GJZGRUSLSA-N
XLogP2.00
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea with MolForge

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Related Compounds

azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
1-cyclohexyl-3-[1-(piperidine-4-carbonyl)piperidin-4-yl]urea
CID 119304273
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120622961
1-cyclohexyl-3-[1-(morpholine-3-carbonyl)piperidin-4-yl]urea;hydrochloride
CID 119750464

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea (CID 120625762) is 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea is C[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CCN1.
What is the InChIKey of 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea?
The InChIKey is FXOMSDJMRDRMOG-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-14-13-15(7-10-20-14)18(24)23-11-8-17(9-12-23)22-19(25)21-16-5-3-2-4-6-16/h14-17,20H,2-13H2,1H3,(H2,21,22,25)/t14-,15-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea?
1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea has a molecular weight of 350.51 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea is sourced from PubChem (CID 120625762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).