1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride

C17H33ClN4O2 — CID 119304288

IUPAC1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
SMILESCCCC(N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-2-6-15(18)16(22)21-11-9-14(10-12-21)20-17(23)19-13-7-4-3-5-8-13;/h13-15H,2-12,18H2,1H3,(H2,19,20,23);1H
InChIKeyAQDIHVPSIVMXJA-UHFFFAOYSA-N
MW360.93 g/mol
LogP2.16
Rot. Bonds5

About 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride

1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride (PubChem CID 119304288) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
PubChem CID119304288
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC Name1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
SMILESCCCC(N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-2-6-15(18)16(22)21-11-9-14(10-12-21)20-17(23)19-13-7-4-3-5-8-13;/h13-15H,2-12,18H2,1H3,(H2,19,20,23);1H
InChIKeyAQDIHVPSIVMXJA-UHFFFAOYSA-N
XLogP2.16
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 86813571
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
CID 93255529
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43711915
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopentan-1-one
CID 43650387
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119288350
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The IUPAC name of 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride (CID 119304288) is 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride.
What is the SMILES notation for 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The canonical SMILES for 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride is CCCC(N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.Cl.
What is the InChIKey of 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The InChIKey is AQDIHVPSIVMXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c1-2-6-15(18)16(22)21-11-9-14(10-12-21)20-17(23)19-13-7-4-3-5-8-13;/h13-15H,2-12,18H2,1H3,(H2,19,20,23);1H.
What are the key properties of 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride is sourced from PubChem (CID 119304288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).