1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride

C17H27ClN4O2 — CID 119544632

IUPAC1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
SMILESCNCC1CCN(C(=O)C(C)NC(=O)Nc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13(19-17(23)20-15-6-4-3-5-7-15)16(22)21-10-8-14(9-11-21)12-18-2;/h3-7,13-14,18H,8-12H2,1-2H3,(H2,19,20,23);1H
InChIKeyPMYHOMXNJITJRP-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.08
Rot. Bonds5

About 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride

1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride (PubChem CID 119544632) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
PubChem CID119544632
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
SMILESCNCC1CCN(C(=O)C(C)NC(=O)Nc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13(19-17(23)20-15-6-4-3-5-7-15)16(22)21-10-8-14(9-11-21)12-18-2;/h3-7,13-14,18H,8-12H2,1-2H3,(H2,19,20,23);1H
InChIKeyPMYHOMXNJITJRP-UHFFFAOYSA-N
XLogP2.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119544633
1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119623367
1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119411142
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119922213
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 62370951
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate
CID 30825149
3-(2-fluorophenyl)-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546479
2-benzyl-3-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119539357
3-methyl-N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]butanamide;hydrochloride
CID 119539222

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The IUPAC name of 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride (CID 119544632) is 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride.
What is the SMILES notation for 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The canonical SMILES for 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride is CNCC1CCN(C(=O)C(C)NC(=O)Nc2ccccc2)CC1.Cl.
What is the InChIKey of 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The InChIKey is PMYHOMXNJITJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-13(19-17(23)20-15-6-4-3-5-7-15)16(22)21-10-8-14(9-11-21)12-18-2;/h3-7,13-14,18H,8-12H2,1-2H3,(H2,19,20,23);1H.
What are the key properties of 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride is sourced from PubChem (CID 119544632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).