3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide

C20H31N3O2 — CID 43022867

IUPAC3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCCN(C(N)=O)C2)C(C)C)cc1
InChIInChI=1S/C20H31N3O2/c1-13(2)15-7-9-16(10-8-15)18(14(3)4)22-19(24)17-6-5-11-23(12-17)20(21)25/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3,(H2,21,25)(H,22,24)
InChIKeyMEUKERRTDJPOGC-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.41
Rot. Bonds5

About 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide

3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide (PubChem CID 43022867) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
PubChem CID43022867
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCCN(C(N)=O)C2)C(C)C)cc1
InChIInChI=1S/C20H31N3O2/c1-13(2)15-7-9-16(10-8-15)18(14(3)4)22-19(24)17-6-5-11-23(12-17)20(21)25/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3,(H2,21,25)(H,22,24)
InChIKeyMEUKERRTDJPOGC-UHFFFAOYSA-N
XLogP3.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 55741772
(3S)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495072
(3R)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495070
3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
CID 134048684
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 32597617

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide (CID 43022867) is 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide is CC(C)c1ccc(C(NC(=O)C2CCCN(C(N)=O)C2)C(C)C)cc1.
What is the InChIKey of 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide?
The InChIKey is MEUKERRTDJPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13(2)15-7-9-16(10-8-15)18(14(3)4)22-19(24)17-6-5-11-23(12-17)20(21)25/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3,(H2,21,25)(H,22,24).
What are the key properties of 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide?
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 43022867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).