4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide

C21H37N5O — CID 113106359

IUPAC4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NCCCN(C)C)CC2)c(C)c1
InChIInChI=1S/C21H37N5O/c1-6-24(7-2)19-9-10-20(18(3)17-19)25-13-15-26(16-14-25)21(27)22-11-8-12-23(4)5/h9-10,17H,6-8,11-16H2,1-5H3,(H,22,27)
InChIKeyGPDYHIFCQKCHDV-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.62
Rot. Bonds8

About 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide

4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide (PubChem CID 113106359) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
PubChem CID113106359
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NCCCN(C)C)CC2)c(C)c1
InChIInChI=1S/C21H37N5O/c1-6-24(7-2)19-9-10-20(18(3)17-19)25-13-15-26(16-14-25)21(27)22-11-8-12-23(4)5/h9-10,17H,6-8,11-16H2,1-5H3,(H,22,27)
InChIKeyGPDYHIFCQKCHDV-UHFFFAOYSA-N
XLogP2.62
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105145
4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103750
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104139
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]ethanone
CID 113080662
4-[4-(diethylamino)-2-methylphenyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108473
N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
CID 113080706
4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106366
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113106335
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
N-[2-(dimethylamino)ethyl]-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113105892

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide (CID 113106359) is 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide is CCN(CC)c1ccc(N2CCN(C(=O)NCCCN(C)C)CC2)c(C)c1.
What is the InChIKey of 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The InChIKey is GPDYHIFCQKCHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-6-24(7-2)19-9-10-20(18(3)17-19)25-13-15-26(16-14-25)21(27)22-11-8-12-23(4)5/h9-10,17H,6-8,11-16H2,1-5H3,(H,22,27).
What are the key properties of 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).