2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride

C18H29ClN2O — CID 119424602

IUPAC2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
SMILESCC(C)(CCCc1ccccc1)C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-18(2,12-6-10-15-8-4-3-5-9-15)17(21)20-16-11-7-13-19-14-16;/h3-5,8-9,16,19H,6-7,10-14H2,1-2H3,(H,20,21);1H
InChIKeyKHUNAVNCFLCPNY-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.33
Rot. Bonds6

About 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride

2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride (PubChem CID 119424602) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
PubChem CID119424602
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
SMILESCC(C)(CCCc1ccccc1)C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-18(2,12-6-10-15-8-4-3-5-9-15)17(21)20-16-11-7-13-19-14-16;/h3-5,8-9,16,19H,6-7,10-14H2,1-2H3,(H,20,21);1H
InChIKeyKHUNAVNCFLCPNY-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide
CID 111121758
N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119550298
N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135
2-methyl-2-phenyl-N-pyrrolidin-3-ylpropanamide
CID 43603539
N-piperidin-3-ylbenzamide
CID 22017045
1-(1,4-diazepan-1-yl)-2,2-dimethyl-5-phenylpentan-1-one
CID 119414461
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119426384
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide
CID 90003955
3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 70954342
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
2-(2-tert-butylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119426969

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride (CID 119424602) is 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride is CC(C)(CCCc1ccccc1)C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride?
The InChIKey is KHUNAVNCFLCPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-18(2,12-6-10-15-8-4-3-5-9-15)17(21)20-16-11-7-13-19-14-16;/h3-5,8-9,16,19H,6-7,10-14H2,1-2H3,(H,20,21);1H.
What are the key properties of 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride?
2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride is sourced from PubChem (CID 119424602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).