N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide

C17H34N2O — CID 124636333

IUPACN-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C[C@@H](CC(C)(C)C)C1CCNCC1
InChIInChI=1S/C17H34N2O/c1-13(20)19-17(5,6)12-15(11-16(2,3)4)14-7-9-18-10-8-14/h14-15,18H,7-12H2,1-6H3,(H,19,20)/t15-/m1/s1
InChIKeyAGGWFQQQZGDFSD-OAHLLOKOSA-N
MW282.47 g/mol
LogP3.34
Rot. Bonds5

About N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide

N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide (PubChem CID 124636333) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
PubChem CID124636333
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C[C@@H](CC(C)(C)C)C1CCNCC1
InChIInChI=1S/C17H34N2O/c1-13(20)19-17(5,6)12-15(11-16(2,3)4)14-7-9-18-10-8-14/h14-15,18H,7-12H2,1-6H3,(H,19,20)/t15-/m1/s1
InChIKeyAGGWFQQQZGDFSD-OAHLLOKOSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
CID 124674767
tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate
CID 158911510
(2R)-4,4-dimethyl-2-piperidin-4-ylpentan-1-amine
CID 95241778
N-(1-piperidin-4-ylethyl)acetamide
CID 43523156
N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119763294
3,4,4-trimethyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 55260130
N-(1-methoxy-2-methylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119760987
2-piperidin-4-ylpropane-1,3-diol
CID 67197232
3,3-dimethyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 53255531
methyl 4-nitro-3-piperidin-4-ylbutanoate
CID 122453970
N-[4-[(1,1-dioxothian-4-yl)amino]-2-methylpentan-2-yl]acetamide
CID 131913138
3,3-dimethyl-2-piperidin-4-ylpentanoic acid
CID 123184489

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide?
The IUPAC name of N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide (CID 124636333) is N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide.
What is the SMILES notation for N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide?
The canonical SMILES for N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide is CC(=O)NC(C)(C)C[C@@H](CC(C)(C)C)C1CCNCC1.
What is the InChIKey of N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide?
The InChIKey is AGGWFQQQZGDFSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(20)19-17(5,6)12-15(11-16(2,3)4)14-7-9-18-10-8-14/h14-15,18H,7-12H2,1-6H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide?
N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide has a molecular weight of 282.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide is sourced from PubChem (CID 124636333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).