2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide

C18H28N2O — CID 119461637

IUPAC2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide
SMILESCCC(CC)(C(=O)NCC1CCCNC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-18(4-2,16-10-6-5-7-11-16)17(21)20-14-15-9-8-12-19-13-15/h5-7,10-11,15,19H,3-4,8-9,12-14H2,1-2H3,(H,20,21)
InChIKeySIGLYTQKERBFSJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.86
Rot. Bonds6

About 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide

2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide (PubChem CID 119461637) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide
PubChem CID119461637
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide
SMILESCCC(CC)(C(=O)NCC1CCCNC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-18(4-2,16-10-6-5-7-11-16)17(21)20-14-15-9-8-12-19-13-15/h5-7,10-11,15,19H,3-4,8-9,12-14H2,1-2H3,(H,20,21)
InChIKeySIGLYTQKERBFSJ-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide
CID 119461907
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
CID 165429715
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
2-[benzenesulfonyl(methyl)amino]-N-(piperidin-3-ylmethyl)acetamide
CID 119459953
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide?
The IUPAC name of 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide (CID 119461637) is 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide?
The canonical SMILES for 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide is CCC(CC)(C(=O)NCC1CCCNC1)c1ccccc1.
What is the InChIKey of 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide?
The InChIKey is SIGLYTQKERBFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-18(4-2,16-10-6-5-7-11-16)17(21)20-14-15-9-8-12-19-13-15/h5-7,10-11,15,19H,3-4,8-9,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide?
2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide has a molecular weight of 288.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide is sourced from PubChem (CID 119461637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).