2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide

C32H45N3O2 — CID 4012959

IUPAC2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C32H45N3O2/c1-2-3-4-5-6-7-11-14-31(36)33-28-17-18-30(29(24-28)32(37)34-27-15-16-27)35-21-19-26(20-22-35)23-25-12-9-8-10-13-25/h8-10,12-13,17-18,24,26-27H,2-7,11,14-16,19-23H2,1H3,(H,33,36)(H,34,37)
InChIKeyXEGVVCUWQHFNOV-UHFFFAOYSA-N
MW503.73 g/mol
LogP7.12
Rot. Bonds14

About 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide

2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide (PubChem CID 4012959) has the molecular formula C32H45N3O2 and a molecular weight of 503.73 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide
PubChem CID4012959
Molecular FormulaC32H45N3O2
Molecular Weight503.73 g/mol
Exact Mass503.35
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C32H45N3O2/c1-2-3-4-5-6-7-11-14-31(36)33-28-17-18-30(29(24-28)32(37)34-27-15-16-27)35-21-19-26(20-22-35)23-25-12-9-8-10-13-25/h8-10,12-13,17-18,24,26-27H,2-7,11,14-16,19-23H2,1H3,(H,33,36)(H,34,37)
InChIKeyXEGVVCUWQHFNOV-UHFFFAOYSA-N
XLogP7.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.73
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-(decanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42659443
2-(4-benzylpiperidin-1-yl)-5-(heptanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 4018849
2-(4-benzylpiperidin-1-yl)-5-(decanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 4266773
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4236569
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751292
N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3302040
2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-[(4-nitrophenyl)carbamoylamino]benzamide
CID 42757368
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide (CID 4012959) is 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide is CCCCCCCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide?
The InChIKey is XEGVVCUWQHFNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O2/c1-2-3-4-5-6-7-11-14-31(36)33-28-17-18-30(29(24-28)32(37)34-27-15-16-27)35-21-19-26(20-22-35)23-25-12-9-8-10-13-25/h8-10,12-13,17-18,24,26-27H,2-7,11,14-16,19-23H2,1H3,(H,33,36)(H,34,37).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide?
2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide has a molecular weight of 503.73 g/mol, XLogP of 7.12, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide is sourced from PubChem (CID 4012959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).