N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide

C23H29N3O2 — CID 118786871

IUPACN-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide
SMILESCNC(=O)CCc1cccc(NC(=O)N2CCCC(c3cccc(C)c3)C2)c1
InChIInChI=1S/C23H29N3O2/c1-17-6-3-8-19(14-17)20-9-5-13-26(16-20)23(28)25-21-10-4-7-18(15-21)11-12-22(27)24-2/h3-4,6-8,10,14-15,20H,5,9,11-13,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDINZWMGBKIMHHS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.09
Rot. Bonds5

About N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide

N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 118786871) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID118786871
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide
SMILESCNC(=O)CCc1cccc(NC(=O)N2CCCC(c3cccc(C)c3)C2)c1
InChIInChI=1S/C23H29N3O2/c1-17-6-3-8-19(14-17)20-9-5-13-26(16-20)23(28)25-21-10-4-7-18(15-21)11-12-22(27)24-2/h3-4,6-8,10,14-15,20H,5,9,11-13,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDINZWMGBKIMHHS-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
(3R)-N-(3-ethylphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7297536
N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide
CID 124846288
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 118790711
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060202

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide (CID 118786871) is N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide is CNC(=O)CCc1cccc(NC(=O)N2CCCC(c3cccc(C)c3)C2)c1.
What is the InChIKey of N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is DINZWMGBKIMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-6-3-8-19(14-17)20-9-5-13-26(16-20)23(28)25-21-10-4-7-18(15-21)11-12-22(27)24-2/h3-4,6-8,10,14-15,20H,5,9,11-13,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide?
N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 118786871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).