N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide

C18H28N2O2 — CID 110883979

IUPACN-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-2-3-11-19-17(21)14-20-12-9-16(10-13-20)18(22)15-7-5-4-6-8-15/h4-8,16,18,22H,2-3,9-14H2,1H3,(H,19,21)
InChIKeyXJRGZZKHBXECNG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.35
Rot. Bonds7

About N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide

N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide (PubChem CID 110883979) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
PubChem CID110883979
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-2-3-11-19-17(21)14-20-12-9-16(10-13-20)18(22)15-7-5-4-6-8-15/h4-8,16,18,22H,2-3,9-14H2,1H3,(H,19,21)
InChIKeyXJRGZZKHBXECNG-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 111974919
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide
CID 111109476
2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36668372
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
CID 18137011
N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 134038789
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653763
N-butyl-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653757
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide (CID 110883979) is N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide is CCCCNC(=O)CN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The InChIKey is XJRGZZKHBXECNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-11-19-17(21)14-20-12-9-16(10-13-20)18(22)15-7-5-4-6-8-15/h4-8,16,18,22H,2-3,9-14H2,1H3,(H,19,21).
What are the key properties of N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110883979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).