N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide

C25H27N3O2 — CID 3547504

IUPACN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C25H27N3O2/c1-27(2)23-13-12-21(17-22(23)25(30)28-14-6-3-7-15-28)26-24(29)20-11-10-18-8-4-5-9-19(18)16-20/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,26,29)
InChIKeyOXHFGGABOINHNL-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.78
Rot. Bonds4

About N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide (PubChem CID 3547504) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
PubChem CID3547504
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C25H27N3O2/c1-27(2)23-13-12-21(17-22(23)25(30)28-14-6-3-7-15-28)26-24(29)20-11-10-18-8-4-5-9-19(18)16-20/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,26,29)
InChIKeyOXHFGGABOINHNL-UHFFFAOYSA-N
XLogP4.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5204790
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3951252
3-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42747317
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
CID 4310532
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide (CID 3547504) is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)N1CCCCC1.
What is the InChIKey of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is OXHFGGABOINHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27(2)23-13-12-21(17-22(23)25(30)28-14-6-3-7-15-28)26-24(29)20-11-10-18-8-4-5-9-19(18)16-20/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide?
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3547504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).