N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide

C20H32N2O — CID 50875407

IUPACN-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
InChIInChI=1S/C20H32N2O/c1-16(15-20(2,3)18-8-6-5-7-9-18)21-19(23)14-17-10-12-22(4)13-11-17/h5-9,16-17H,10-15H2,1-4H3,(H,21,23)
InChIKeyPJBMMEVGNHXLNB-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.59
Rot. Bonds6

About N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide

N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 50875407) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID50875407
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
InChIInChI=1S/C20H32N2O/c1-16(15-20(2,3)18-8-6-5-7-9-18)21-19(23)14-17-10-12-22(4)13-11-17/h5-9,16-17H,10-15H2,1-4H3,(H,21,23)
InChIKeyPJBMMEVGNHXLNB-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-1,1-diphenylpropan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 156609416
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
CID 119755784
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide
CID 125058828
N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide
CID 125440966
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
CID 122133360
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride
CID 120590624

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide (CID 50875407) is N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide is CC(CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1.
What is the InChIKey of N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is PJBMMEVGNHXLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-16(15-20(2,3)18-8-6-5-7-9-18)21-19(23)14-17-10-12-22(4)13-11-17/h5-9,16-17H,10-15H2,1-4H3,(H,21,23).
What are the key properties of N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide?
N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 316.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 50875407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).