N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide

C27H38N2O2 — CID 69070712

IUPACN-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1)C1CCCCC1
InChIInChI=1S/C27H38N2O2/c1-2-29(25-10-5-3-6-11-25)27(30)24-13-12-23-21-26(15-14-22(23)20-24)31-19-9-18-28-16-7-4-8-17-28/h12-15,20-21,25H,2-11,16-19H2,1H3
InChIKeyQBQQJEMHACKVPQ-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.89
Rot. Bonds8

About N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide

N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide (PubChem CID 69070712) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
PubChem CID69070712
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1)C1CCCCC1
InChIInChI=1S/C27H38N2O2/c1-2-29(25-10-5-3-6-11-25)27(30)24-13-12-23-21-26(15-14-22(23)20-24)31-19-9-18-28-16-7-4-8-17-28/h12-15,20-21,25H,2-11,16-19H2,1H3
InChIKeyQBQQJEMHACKVPQ-UHFFFAOYSA-N
XLogP5.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(3-piperidin-1-ylpropoxy)-N-propan-2-ylnaphthalene-2-carboxamide
CID 69066079
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
CID 69068726
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-cyclopentyl-N-ethylbenzamide;oxalic acid
CID 69065089
N-ethyl-N-[(2-fluorophenyl)methyl]-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide;hydrochloride
CID 11698750
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
bis[7-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-chromen-4-yl]methanone
CID 174585250
N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride
CID 90390248
N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
CID 78805547
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide (CID 69070712) is N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide is CCN(C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide?
The InChIKey is QBQQJEMHACKVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-2-29(25-10-5-3-6-11-25)27(30)24-13-12-23-21-26(15-14-22(23)20-24)31-19-9-18-28-16-7-4-8-17-28/h12-15,20-21,25H,2-11,16-19H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide?
N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide has a molecular weight of 422.61 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 69070712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).