(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide

C22H28N4O2 — CID 126437574

IUPAC(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide
SMILESCNC(=O)[C@H](NC(=O)NC1CCN(c2cccc(C)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-16-7-6-10-19(15-16)26-13-11-18(12-14-26)24-22(28)25-20(21(27)23-2)17-8-4-3-5-9-17/h3-10,15,18,20H,11-14H2,1-2H3,(H,23,27)(H2,24,25,28)/t20-/m1/s1
InChIKeyFRHFJJPTWKPXCD-HXUWFJFHSA-N
MW380.49 g/mol
LogP2.75
Rot. Bonds5

About (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide

(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide (PubChem CID 126437574) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide
PubChem CID126437574
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide
SMILESCNC(=O)[C@H](NC(=O)NC1CCN(c2cccc(C)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-16-7-6-10-19(15-16)26-13-11-18(12-14-26)24-22(28)25-20(21(27)23-2)17-8-4-3-5-9-17/h3-10,15,18,20H,11-14H2,1-2H3,(H,23,27)(H2,24,25,28)/t20-/m1/s1
InChIKeyFRHFJJPTWKPXCD-HXUWFJFHSA-N
XLogP2.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
2-hydroxy-2-(4-methoxyphenyl)-N-[1-(3-methylphenyl)piperidin-4-yl]acetamide
CID 118763996
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55911896
1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
CID 22327579
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide
CID 45205799
1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea
CID 168974043

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide (CID 126437574) is (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide is CNC(=O)[C@H](NC(=O)NC1CCN(c2cccc(C)c2)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide?
The InChIKey is FRHFJJPTWKPXCD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-7-6-10-19(15-16)26-13-11-18(12-14-26)24-22(28)25-20(21(27)23-2)17-8-4-3-5-9-17/h3-10,15,18,20H,11-14H2,1-2H3,(H,23,27)(H2,24,25,28)/t20-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide?
(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide has a molecular weight of 380.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide is sourced from PubChem (CID 126437574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).