N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide

C23H36N2O2 — CID 42703671

IUPACN-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(CCC)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H36N2O2/c1-3-5-7-13-22(26)24-21(10-4-2)23(27)25-16-14-20(15-17-25)18-19-11-8-6-9-12-19/h6,8-9,11-12,20-21H,3-5,7,10,13-18H2,1-2H3,(H,24,26)
InChIKeyDSOUKHPDHSPPLQ-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.33
Rot. Bonds10

About N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide

N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide (PubChem CID 42703671) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide
PubChem CID42703671
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(CCC)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H36N2O2/c1-3-5-7-13-22(26)24-21(10-4-2)23(27)25-16-14-20(15-17-25)18-19-11-8-6-9-12-19/h6,8-9,11-12,20-21H,3-5,7,10,13-18H2,1-2H3,(H,24,26)
InChIKeyDSOUKHPDHSPPLQ-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119373638
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119539209
[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea
CID 71919535
(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
CID 14500780
N-benzyl-4-[2-(octanoylamino)-3-phenylpropanoyl]piperazine-1-carboxamide
CID 4006835
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119662177
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide?
The IUPAC name of N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide (CID 42703671) is N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide.
What is the SMILES notation for N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide?
The canonical SMILES for N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide is CCCCCC(=O)NC(CCC)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide?
The InChIKey is DSOUKHPDHSPPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-3-5-7-13-22(26)24-21(10-4-2)23(27)25-16-14-20(15-17-25)18-19-11-8-6-9-12-19/h6,8-9,11-12,20-21H,3-5,7,10,13-18H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide?
N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide has a molecular weight of 372.55 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide is sourced from PubChem (CID 42703671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).