N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide

C16H32N2O2 — CID 112542163

IUPACN-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)CN1CC(CCO)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)9-18-10-13(6-7-19)8-14(11-18)17-15(20)16(3,4)5/h12-14,19H,6-11H2,1-5H3,(H,17,20)
InChIKeyBXJLJWZCHSEKPQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.88
Rot. Bonds5

About N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542163) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542163
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)CN1CC(CCO)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)9-18-10-13(6-7-19)8-14(11-18)17-15(20)16(3,4)5/h12-14,19H,6-11H2,1-5H3,(H,17,20)
InChIKeyBXJLJWZCHSEKPQ-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286
N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542165
N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542473
N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542404
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543072
N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542522
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723
N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542487
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144
N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542431
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 112542163) is N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(C)CN1CC(CCO)CC(NC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is BXJLJWZCHSEKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)9-18-10-13(6-7-19)8-14(11-18)17-15(20)16(3,4)5/h12-14,19H,6-11H2,1-5H3,(H,17,20).
What are the key properties of N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 284.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).