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

C18H35ClN4O2 — CID 119750510

IUPAC1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.Cl
InChIInChI=1S/C18H34N4O2.ClH/c1-3-11-18(2,19)16(23)22-12-9-15(10-13-22)21-17(24)20-14-7-5-4-6-8-14;/h14-15H,3-13,19H2,1-2H3,(H2,20,21,24);1H
InChIKeyYNGKXUDDIYWTTM-UHFFFAOYSA-N
MW374.96 g/mol
LogP2.55
Rot. Bonds5

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

1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride (PubChem CID 119750510) has the molecular formula C18H35ClN4O2 and a molecular weight of 374.96 g/mol. Its IUPAC name is 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
PubChem CID119750510
Molecular FormulaC18H35ClN4O2
Molecular Weight374.96 g/mol
Exact Mass374.24
IUPAC Name1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.Cl
InChIInChI=1S/C18H34N4O2.ClH/c1-3-11-18(2,19)16(23)22-12-9-15(10-13-22)21-17(24)20-14-7-5-4-6-8-14;/h14-15H,3-13,19H2,1-2H3,(H2,20,21,24);1H
InChIKeyYNGKXUDDIYWTTM-UHFFFAOYSA-N
XLogP2.55
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119743528
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1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
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CID 86813571
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2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The IUPAC name of 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride (CID 119750510) is 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride.
What is the SMILES notation for 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The canonical SMILES for 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride is CCCC(C)(N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.Cl.
What is the InChIKey of 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The InChIKey is YNGKXUDDIYWTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2.ClH/c1-3-11-18(2,19)16(23)22-12-9-15(10-13-22)21-17(24)20-14-7-5-4-6-8-14;/h14-15H,3-13,19H2,1-2H3,(H2,20,21,24);1H.
What are the key properties of 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride has a molecular weight of 374.96 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride is sourced from PubChem (CID 119750510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).