N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide

C19H28N4O3 — CID 118777190

IUPACN-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)NC2CCN(CC(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C19H28N4O3/c1-13-11-16(26-2)5-6-17(13)22-19(25)21-15-7-9-23(10-8-15)12-18(24)20-14-3-4-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyIGWLAEQPXAYSFX-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.87
Rot. Bonds6

About N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide

N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide (PubChem CID 118777190) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide
PubChem CID118777190
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)NC2CCN(CC(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C19H28N4O3/c1-13-11-16(26-2)5-6-17(13)22-19(25)21-15-7-9-23(10-8-15)12-18(24)20-14-3-4-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyIGWLAEQPXAYSFX-UHFFFAOYSA-N
XLogP1.87
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[(2-fluoro-4-methoxyphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 74235645
N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9438309
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 3865225
1-(4-amino-2-methylphenyl)-3-cyclopropylurea
CID 62698146
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 60554326
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285
1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea
CID 25386143
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide (CID 118777190) is N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide is COc1ccc(NC(=O)NC2CCN(CC(=O)NC3CC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is IGWLAEQPXAYSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-11-16(26-2)5-6-17(13)22-19(25)21-15-7-9-23(10-8-15)12-18(24)20-14-3-4-14/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide?
N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 118777190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).