N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide

C25H34N4O — CID 58866822

IUPACN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)cc1
InChIInChI=1S/C25H34N4O/c1-19-4-6-20(7-5-19)21-12-15-28(16-13-21)25(30)26-22-8-10-23(11-9-22)29-17-14-24(18-29)27(2)3/h4-11,21,24H,12-18H2,1-3H3,(H,26,30)
InChIKeyOWTZZJYNJORJJI-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.55
Rot. Bonds4

About N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 58866822) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID58866822
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)cc1
InChIInChI=1S/C25H34N4O/c1-19-4-6-20(7-5-19)21-12-15-28(16-13-21)25(30)26-22-8-10-23(11-9-22)29-17-14-24(18-29)27(2)3/h4-11,21,24H,12-18H2,1-3H3,(H,26,30)
InChIKeyOWTZZJYNJORJJI-UHFFFAOYSA-N
XLogP4.55
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.55
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-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 58866847
4-(4-chlorophenyl)-N-[4-[(3R)-3-[methyl(pyrimidin-2-yl)amino]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867411
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58866968
4-(4-chlorophenyl)-N-[4-[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867575
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-(4-methylphenoxy)piperidine-1-carboxamide
CID 58867051
4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen
CID 160666769
4-(4-chlorophenyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 58867035
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 58866514
4-(2-chlorophenoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867845
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58867740
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide (CID 58866822) is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(C2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is OWTZZJYNJORJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-19-4-6-20(7-5-19)21-12-15-28(16-13-21)25(30)26-22-8-10-23(11-9-22)29-17-14-24(18-29)27(2)3/h4-11,21,24H,12-18H2,1-3H3,(H,26,30).
What are the key properties of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide?
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 58866822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).