N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide

C23H30N2O2 — CID 69489101

IUPACN-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide
SMILESO=C(NC1CCC1)c1ccc2cc(OCCCC3CCCNC3)ccc2c1
InChIInChI=1S/C23H30N2O2/c26-23(25-21-6-1-7-21)20-9-8-19-15-22(11-10-18(19)14-20)27-13-3-5-17-4-2-12-24-16-17/h8-11,14-15,17,21,24H,1-7,12-13,16H2,(H,25,26)
InChIKeyZKFKSNRCBBPTED-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.28
Rot. Bonds7

About N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide

N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide (PubChem CID 69489101) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide
PubChem CID69489101
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide
SMILESO=C(NC1CCC1)c1ccc2cc(OCCCC3CCCNC3)ccc2c1
InChIInChI=1S/C23H30N2O2/c26-23(25-21-6-1-7-21)20-9-8-19-15-22(11-10-18(19)14-20)27-13-3-5-17-4-2-12-24-16-17/h8-11,14-15,17,21,24H,1-7,12-13,16H2,(H,25,26)
InChIKeyZKFKSNRCBBPTED-UHFFFAOYSA-N
XLogP4.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.28
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

(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490917
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490968
(3,4-diaminophenyl)-[3-(3-piperidin-3-ylpropoxy)phenyl]methanone
CID 54434751
[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
CID 67740923
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
(4-methylpiperidin-1-yl)-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
CID 67012303
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
N-methyl-4-(2-piperidin-3-ylethoxy)pyridine-2-carboxamide
CID 62358035
4-butoxy-N-cyclobutylbenzamide
CID 71449411
3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
CID 67011523
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide?
The IUPAC name of N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide (CID 69489101) is N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide?
The canonical SMILES for N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide is O=C(NC1CCC1)c1ccc2cc(OCCCC3CCCNC3)ccc2c1.
What is the InChIKey of N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide?
The InChIKey is ZKFKSNRCBBPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-23(25-21-6-1-7-21)20-9-8-19-15-22(11-10-18(19)14-20)27-13-3-5-17-4-2-12-24-16-17/h8-11,14-15,17,21,24H,1-7,12-13,16H2,(H,25,26).
What are the key properties of N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide?
N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 69489101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).