N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

C22H30N4O2 — CID 113105867

IUPACN-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H30N4O2/c1-24(2)13-12-23-22(27)26-16-14-25(15-17-26)20-8-10-21(11-9-20)28-18-19-6-4-3-5-7-19/h3-11H,12-18H2,1-2H3,(H,23,27)
InChIKeyBQYUQQHIGVOSQR-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113105867) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
PubChem CID113105867
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H30N4O2/c1-24(2)13-12-23-22(27)26-16-14-25(15-17-26)20-8-10-21(11-9-20)28-18-19-6-4-3-5-7-19/h3-11H,12-18H2,1-2H3,(H,23,27)
InChIKeyBQYUQQHIGVOSQR-UHFFFAOYSA-N
XLogP2.66
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763494
4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763476
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
4-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105872
methyl 4-[4-(2-phenylethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108908
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-fluoro-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 58462406

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (CID 113105867) is N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is BQYUQQHIGVOSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24(2)13-12-23-22(27)26-16-14-25(15-17-26)20-8-10-21(11-9-20)28-18-19-6-4-3-5-7-19/h3-11H,12-18H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).