N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide

C26H31N3O — CID 12988887

IUPACN,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccc3ccccc3c2)C2CCNCC2)cc1
InChIInChI=1S/C26H31N3O/c1-3-28(4-2)26(30)21-10-12-23(13-11-21)29(24-15-17-27-18-16-24)25-14-9-20-7-5-6-8-22(20)19-25/h5-14,19,24,27H,3-4,15-18H2,1-2H3
InChIKeyXGMVFHBEINPEJU-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.21
Rot. Bonds6

About N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide

N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide (PubChem CID 12988887) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide
PubChem CID12988887
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC NameN,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccc3ccccc3c2)C2CCNCC2)cc1
InChIInChI=1S/C26H31N3O/c1-3-28(4-2)26(30)21-10-12-23(13-11-21)29(24-15-17-27-18-16-24)25-14-9-20-7-5-6-8-22(20)19-25/h5-14,19,24,27H,3-4,15-18H2,1-2H3
InChIKeyXGMVFHBEINPEJU-UHFFFAOYSA-N
XLogP5.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide;N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-yl)amino]benzamide;N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide;N,N-diethyl-4-(N-piperidin-3-ylanilino)benzamide;N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide
CID 162163299
N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 141107759
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 11323940
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 69121731
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
CID 45486062
4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide
CID 10139424
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
CID 142071760

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide?
The IUPAC name of N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide (CID 12988887) is N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide is CCN(CC)C(=O)c1ccc(N(c2ccc3ccccc3c2)C2CCNCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide?
The InChIKey is XGMVFHBEINPEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-3-28(4-2)26(30)21-10-12-23(13-11-21)29(24-15-17-27-18-16-24)25-14-9-20-7-5-6-8-22(20)19-25/h5-14,19,24,27H,3-4,15-18H2,1-2H3.
What are the key properties of N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide?
N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide has a molecular weight of 401.55 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide is sourced from PubChem (CID 12988887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).