1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride

C17H27ClN4O2 — CID 120814480

IUPAC1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
SMILESCC(NC(=O)Nc1ccccc1)C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(19-16(23)20-13-7-5-4-6-8-13)15(22)21-10-9-14(18)17(2,3)11-21;/h4-8,12,14H,9-11,18H2,1-3H3,(H2,19,20,23);1H
InChIKeyZOJWNBUODCEBIW-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.20
Rot. Bonds3

About 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride

1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride (PubChem CID 120814480) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
PubChem CID120814480
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
SMILESCC(NC(=O)Nc1ccccc1)C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(19-16(23)20-13-7-5-4-6-8-13)15(22)21-10-9-14(18)17(2,3)11-21;/h4-8,12,14H,9-11,18H2,1-3H3,(H2,19,20,23);1H
InChIKeyZOJWNBUODCEBIW-UHFFFAOYSA-N
XLogP2.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119411142
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
CID 120814203
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119544632
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120819466
N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120820062
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119544633
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 120814935
1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119623367
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 120814936
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 120819474
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The IUPAC name of 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride (CID 120814480) is 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride.
What is the SMILES notation for 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The canonical SMILES for 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride is CC(NC(=O)Nc1ccccc1)C(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The InChIKey is ZOJWNBUODCEBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-12(19-16(23)20-13-7-5-4-6-8-13)15(22)21-10-9-14(18)17(2,3)11-21;/h4-8,12,14H,9-11,18H2,1-3H3,(H2,19,20,23);1H.
What are the key properties of 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride is sourced from PubChem (CID 120814480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).