N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C24H30F3N5O — CID 58866968

IUPACN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)C1
InChIInChI=1S/C24H30F3N5O/c1-29(2)22-11-12-32(17-22)21-9-5-19(6-10-21)28-23(33)31-15-13-30(14-16-31)20-7-3-18(4-8-20)24(25,26)27/h3-10,22H,11-17H2,1-2H3,(H,28,33)
InChIKeyLNKPGWDVACWMFO-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.20
Rot. Bonds4

About N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 58866968) has the molecular formula C24H30F3N5O and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID58866968
Molecular FormulaC24H30F3N5O
Molecular Weight461.53 g/mol
Exact Mass461.24
IUPAC NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)C1
InChIInChI=1S/C24H30F3N5O/c1-29(2)22-11-12-32(17-22)21-9-5-19(6-10-21)28-23(33)31-15-13-30(14-16-31)20-7-3-18(4-8-20)24(25,26)27/h3-10,22H,11-17H2,1-2H3,(H,28,33)
InChIKeyLNKPGWDVACWMFO-UHFFFAOYSA-N
XLogP4.20
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58867740
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
CID 58866822
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 58866847
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-(4-fluorophenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide
CID 58867186
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 58866514
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
4-(2-chlorophenoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867845
N-[4-[3-(2-oxopropylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 154432926
4-(5-chloro-2-pyridinyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-hydroxypiperidine-1-carboxamide
CID 58867238
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 58866968) is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)C1.
What is the InChIKey of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is LNKPGWDVACWMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O/c1-29(2)22-11-12-32(17-22)21-9-5-19(6-10-21)28-23(33)31-15-13-30(14-16-31)20-7-3-18(4-8-20)24(25,26)27/h3-10,22H,11-17H2,1-2H3,(H,28,33).
What are the key properties of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 58866968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).