N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane

C26H46N2O2 — CID 143299998

IUPACN-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
SMILESCCC(C)NC(=O)c1ccc(OCCCN2CCCCC2)cc1.CCCCCCC
InChIInChI=1S/C19H30N2O2.C7H16/c1-3-16(2)20-19(22)17-8-10-18(11-9-17)23-15-7-14-21-12-5-4-6-13-21;1-3-5-7-6-4-2/h8-11,16H,3-7,12-15H2,1-2H3,(H,20,22);3-7H2,1-2H3
InChIKeyFURMWKMAQOGUBX-UHFFFAOYSA-N
MW418.67 g/mol
LogP6.45
Rot. Bonds12

About N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane

N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane (PubChem CID 143299998) has the molecular formula C26H46N2O2 and a molecular weight of 418.67 g/mol. Its IUPAC name is N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane.

Molecular Properties

Compound NameN-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
PubChem CID143299998
Molecular FormulaC26H46N2O2
Molecular Weight418.67 g/mol
Exact Mass418.36
IUPAC NameN-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
SMILESCCC(C)NC(=O)c1ccc(OCCCN2CCCCC2)cc1.CCCCCCC
InChIInChI=1S/C19H30N2O2.C7H16/c1-3-16(2)20-19(22)17-8-10-18(11-9-17)23-15-7-14-21-12-5-4-6-13-21;1-3-5-7-6-4-2/h8-11,16H,3-7,12-15H2,1-2H3,(H,20,22);3-7H2,1-2H3
InChIKeyFURMWKMAQOGUBX-UHFFFAOYSA-N
XLogP6.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide
CID 11950190
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
N-(azepane-1-carbothioyl)-4-heptoxybenzamide
CID 4950908
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane?
The IUPAC name of N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane (CID 143299998) is N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane.
What is the SMILES notation for N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane?
The canonical SMILES for N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane is CCC(C)NC(=O)c1ccc(OCCCN2CCCCC2)cc1.CCCCCCC.
What is the InChIKey of N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane?
The InChIKey is FURMWKMAQOGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.C7H16/c1-3-16(2)20-19(22)17-8-10-18(11-9-17)23-15-7-14-21-12-5-4-6-13-21;1-3-5-7-6-4-2/h8-11,16H,3-7,12-15H2,1-2H3,(H,20,22);3-7H2,1-2H3.
What are the key properties of N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane?
N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane has a molecular weight of 418.67 g/mol, XLogP of 6.45, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane is sourced from PubChem (CID 143299998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).