1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride

C19H36ClN5O2 — CID 120981215

IUPAC1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
SMILESCl.O=C(NC1CCCCC1)NC1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C19H35N5O2.ClH/c25-18(24-14-9-20-10-15-24)8-13-23-11-6-17(7-12-23)22-19(26)21-16-4-2-1-3-5-16;/h16-17,20H,1-15H2,(H2,21,22,26);1H
InChIKeyLLOMKBOUQFHLKF-UHFFFAOYSA-N
MW401.98 g/mol
LogP1.33
Rot. Bonds5

About 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride

1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride (PubChem CID 120981215) has the molecular formula C19H36ClN5O2 and a molecular weight of 401.98 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
PubChem CID120981215
Molecular FormulaC19H36ClN5O2
Molecular Weight401.98 g/mol
Exact Mass401.26
IUPAC Name1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
SMILESCl.O=C(NC1CCCCC1)NC1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C19H35N5O2.ClH/c25-18(24-14-9-20-10-15-24)8-13-23-11-6-17(7-12-23)22-19(26)21-16-4-2-1-3-5-16;/h16-17,20H,1-15H2,(H2,21,22,26);1H
InChIKeyLLOMKBOUQFHLKF-UHFFFAOYSA-N
XLogP1.33
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.98
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea
CID 71861034
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119304295
3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982571
2-(cyclohexylcarbamoylamino)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448567
1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
CID 111496272
N-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-3-yl]propanamide
CID 120981335
1-cyclohexyl-3-[1-(piperidine-4-carbonyl)piperidin-4-yl]urea
CID 119304273

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride?
The IUPAC name of 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride (CID 120981215) is 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride?
The canonical SMILES for 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride is Cl.O=C(NC1CCCCC1)NC1CCN(CCC(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride?
The InChIKey is LLOMKBOUQFHLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2.ClH/c25-18(24-14-9-20-10-15-24)8-13-23-11-6-17(7-12-23)22-19(26)21-16-4-2-1-3-5-16;/h16-17,20H,1-15H2,(H2,21,22,26);1H.
What are the key properties of 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride?
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride has a molecular weight of 401.98 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride is sourced from PubChem (CID 120981215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).