N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide

C19H30N2O2 — CID 111113960

IUPACN-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-4-14(2)16-5-7-18(8-6-16)20-19(23)13-21-11-9-17(10-12-21)15(3)22/h5-8,14-15,17,22H,4,9-13H2,1-3H3,(H,20,23)
InChIKeyXXUHRNVUHHQUNR-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.23
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide

N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 111113960) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID111113960
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-4-14(2)16-5-7-18(8-6-16)20-19(23)13-21-11-9-17(10-12-21)15(3)22/h5-8,14-15,17,22H,4,9-13H2,1-3H3,(H,20,23)
InChIKeyXXUHRNVUHHQUNR-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 95123399
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653101
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103494265
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 124758025
N-[4-[(2R)-butan-2-yl]phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993890
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
N-(4-butan-2-ylphenyl)-2-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]acetamide
CID 50982416
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-butan-2-ylphenyl)acetamide;hydrochloride
CID 120772283
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 110019704

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide (CID 111113960) is N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide is CCC(C)c1ccc(NC(=O)CN2CCC(C(C)O)CC2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is XXUHRNVUHHQUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-14(2)16-5-7-18(8-6-16)20-19(23)13-21-11-9-17(10-12-21)15(3)22/h5-8,14-15,17,22H,4,9-13H2,1-3H3,(H,20,23).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide?
N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 111113960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).