N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide

C19H29N3O2 — CID 3218427

IUPACN-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC(NC(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-13-10-14(2)12-16(11-13)21-18(24)22-8-6-15(7-9-22)20-17(23)19(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyTUCHFZUOEGPLPK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.46
Rot. Bonds2

About N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide

N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide (PubChem CID 3218427) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide
PubChem CID3218427
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC(NC(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-13-10-14(2)12-16(11-13)21-18(24)22-8-6-15(7-9-22)20-17(23)19(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyTUCHFZUOEGPLPK-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide (CID 3218427) is N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide?
The InChIKey is TUCHFZUOEGPLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13-10-14(2)12-16(11-13)21-18(24)22-8-6-15(7-9-22)20-17(23)19(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 3218427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).