N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide

C19H30N2O2 — CID 111106959

IUPACN-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(O)C1CCCCN1CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H30N2O2/c1-15(2)21(13-17-9-5-4-6-10-17)19(23)14-20-12-8-7-11-18(20)16(3)22/h4-6,9-10,15-16,18,22H,7-8,11-14H2,1-3H3
InChIKeyNNEVJHOYHCWHPY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.66
Rot. Bonds6

About N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide

N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 111106959) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID111106959
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(O)C1CCCCN1CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H30N2O2/c1-15(2)21(13-17-9-5-4-6-10-17)19(23)14-20-12-8-7-11-18(20)16(3)22/h4-6,9-10,15-16,18,22H,7-8,11-14H2,1-3H3
InChIKeyNNEVJHOYHCWHPY-UHFFFAOYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907822
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904711
N-benzyl-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 27074533
N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
CID 110687706
N-benzyl-2-[(2S)-2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 95836518
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylacetamide
CID 109000032
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
2-[(2R)-2-[[benzyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554342
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106984
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503471
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111106760

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 111106959) is N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(O)C1CCCCN1CC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is NNEVJHOYHCWHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)21(13-17-9-5-4-6-10-17)19(23)14-20-12-8-7-11-18(20)16(3)22/h4-6,9-10,15-16,18,22H,7-8,11-14H2,1-3H3.
What are the key properties of N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 318.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 111106959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).