N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide

C22H30N4O2 — CID 113109409

IUPACN-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCN2CCN(C(=O)Nc3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C22H30N4O2/c1-24(2)20-9-7-19(8-10-20)23-22(27)26-15-13-25(14-16-26)12-11-18-5-4-6-21(17-18)28-3/h4-10,17H,11-16H2,1-3H3,(H,23,27)
InChIKeyXTCRDLLMXLQZSB-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.15
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide

N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109409) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109409
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCN2CCN(C(=O)Nc3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C22H30N4O2/c1-24(2)20-9-7-19(8-10-20)23-22(27)26-15-13-25(14-16-26)12-11-18-5-4-6-21(17-18)28-3/h4-10,17H,11-16H2,1-3H3,(H,23,27)
InChIKeyXTCRDLLMXLQZSB-UHFFFAOYSA-N
XLogP3.15
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109366
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113109409) is N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1cccc(CCN2CCN(C(=O)Nc3ccc(N(C)C)cc3)CC2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is XTCRDLLMXLQZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24(2)20-9-7-19(8-10-20)23-22(27)26-15-13-25(14-16-26)12-11-18-5-4-6-21(17-18)28-3/h4-10,17H,11-16H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).