2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide

C20H30N2O2 — CID 21409714

IUPAC2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(=O)CCN1C(C)(C)CC(C(=O)Nc2ccccc2)CC1(C)C
InChIInChI=1S/C20H30N2O2/c1-15(23)11-12-22-19(2,3)13-16(14-20(22,4)5)18(24)21-17-9-7-6-8-10-17/h6-10,16H,11-14H2,1-5H3,(H,21,24)
InChIKeyKAZWCCQQUNQCPP-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.87
Rot. Bonds5

About 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide

2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 21409714) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide
PubChem CID21409714
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(=O)CCN1C(C)(C)CC(C(=O)Nc2ccccc2)CC1(C)C
InChIInChI=1S/C20H30N2O2/c1-15(23)11-12-22-19(2,3)13-16(14-20(22,4)5)18(24)21-17-9-7-6-8-10-17/h6-10,16H,11-14H2,1-5H3,(H,21,24)
InChIKeyKAZWCCQQUNQCPP-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
5,5-dimethyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3473493
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide (CID 21409714) is 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide is CC(=O)CCN1C(C)(C)CC(C(=O)Nc2ccccc2)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is KAZWCCQQUNQCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(23)11-12-22-19(2,3)13-16(14-20(22,4)5)18(24)21-17-9-7-6-8-10-17/h6-10,16H,11-14H2,1-5H3,(H,21,24).
What are the key properties of 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide?
2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(3-oxobutyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 21409714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).