N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride

C16H25ClN4O2 — CID 119444373

IUPACN-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride
SMILESCc1cccc(NC(=O)NCC(=O)N(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-12-4-3-5-13(10-12)19-16(22)18-11-15(21)20(2)14-6-8-17-9-7-14;/h3-5,10,14,17H,6-9,11H2,1-2H3,(H2,18,19,22);1H
InChIKeyUKTRVPREOBCQAC-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.75
Rot. Bonds4

About N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride

N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119444373) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119444373
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride
SMILESCc1cccc(NC(=O)NCC(=O)N(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-12-4-3-5-13(10-12)19-16(22)18-11-15(21)20(2)14-6-8-17-9-7-14;/h3-5,10,14,17H,6-9,11H2,1-2H3,(H2,18,19,22);1H
InChIKeyUKTRVPREOBCQAC-UHFFFAOYSA-N
XLogP1.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide
CID 43607677
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 114700125
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide
CID 119442370
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951141
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methyl-3-(3-methylphenyl)urea
CID 43596820

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride (CID 119444373) is N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride is Cc1cccc(NC(=O)NCC(=O)N(C)C2CCNCC2)c1.Cl.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is UKTRVPREOBCQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-12-4-3-5-13(10-12)19-16(22)18-11-15(21)20(2)14-6-8-17-9-7-14;/h3-5,10,14,17H,6-9,11H2,1-2H3,(H2,18,19,22);1H.
What are the key properties of N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride?
N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119444373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).