1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride

C18H29ClN4O2 — CID 119561837

IUPAC1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
SMILESCNC1CCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-19-16-9-12-22(13-10-16)17(23)8-11-20-18(24)21(2)14-15-6-4-3-5-7-15;/h3-7,16,19H,8-14H2,1-2H3,(H,20,24);1H
InChIKeyZKFUYBYLUGHISA-UHFFFAOYSA-N
MW368.91 g/mol
LogP1.85
Rot. Bonds6

About 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride

1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride (PubChem CID 119561837) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
PubChem CID119561837
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
SMILESCNC1CCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-19-16-9-12-22(13-10-16)17(23)8-11-20-18(24)21(2)14-15-6-4-3-5-7-15;/h3-7,16,19H,8-14H2,1-2H3,(H,20,24);1H
InChIKeyZKFUYBYLUGHISA-UHFFFAOYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119518811
3-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119411270
1-benzyl-1-methyl-3-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]urea
CID 56515328
N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581428
1-benzyl-3-[3-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-3-oxopropyl]-1-methylurea
CID 56540351
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118385
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257410
1-benzyl-3-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56516014
3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451808
1-benzyl-3-[3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56505549
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113705
1-benzyl-3-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56515712

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride?
The IUPAC name of 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride (CID 119561837) is 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride.
What is the SMILES notation for 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride?
The canonical SMILES for 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride is CNC1CCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride?
The InChIKey is ZKFUYBYLUGHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-19-16-9-12-22(13-10-16)17(23)8-11-20-18(24)21(2)14-15-6-4-3-5-7-15;/h3-7,16,19H,8-14H2,1-2H3,(H,20,24);1H.
What are the key properties of 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride?
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride is sourced from PubChem (CID 119561837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).