N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide

C27H29N3O2 — CID 3877371

IUPACN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C27H29N3O2/c1-29(2)25-16-15-23(19-24(25)27(32)30-17-7-4-8-18-30)28-26(31)22-13-11-21(12-14-22)20-9-5-3-6-10-20/h3,5-6,9-16,19H,4,7-8,17-18H2,1-2H3,(H,28,31)
InChIKeyQYXNFNHUOHVDIT-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.30
Rot. Bonds5

About N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide (PubChem CID 3877371) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
PubChem CID3877371
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C27H29N3O2/c1-29(2)25-16-15-23(19-24(25)27(32)30-17-7-4-8-18-30)28-26(31)22-13-11-21(12-14-22)20-9-5-3-6-10-20/h3,5-6,9-16,19H,4,7-8,17-18H2,1-2H3,(H,28,31)
InChIKeyQYXNFNHUOHVDIT-UHFFFAOYSA-N
XLogP5.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.30
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]naphthalene-2-carboxamide
CID 3547504
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5204790
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310
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]naphthalene-1-carboxamide
CID 4028194
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
CID 7125440
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide (CID 3877371) is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide is CN(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)N1CCCCC1.
What is the InChIKey of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide?
The InChIKey is QYXNFNHUOHVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-29(2)25-16-15-23(19-24(25)27(32)30-17-7-4-8-18-30)28-26(31)22-13-11-21(12-14-22)20-9-5-3-6-10-20/h3,5-6,9-16,19H,4,7-8,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide?
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide has a molecular weight of 427.55 g/mol, XLogP of 5.30, 5 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]-4-phenylbenzamide is sourced from PubChem (CID 3877371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).