1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

C23H40N4O2 — CID 70380055

IUPAC1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCCN(CC)CC(O)CN1CCC(C(=O)Nc2c(C)cccc2C)(N(C)C)CC1
InChIInChI=1S/C23H40N4O2/c1-7-26(8-2)16-20(28)17-27-14-12-23(13-15-27,25(5)6)22(29)24-21-18(3)10-9-11-19(21)4/h9-11,20,28H,7-8,12-17H2,1-6H3,(H,24,29)
InChIKeyYWNHNCQQBOTPLU-UHFFFAOYSA-N
MW404.60 g/mol
LogP2.34
Rot. Bonds9

About 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 70380055) has the molecular formula C23H40N4O2 and a molecular weight of 404.60 g/mol. Its IUPAC name is 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
PubChem CID70380055
Molecular FormulaC23H40N4O2
Molecular Weight404.60 g/mol
Exact Mass404.32
IUPAC Name1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCCN(CC)CC(O)CN1CCC(C(=O)Nc2c(C)cccc2C)(N(C)C)CC1
InChIInChI=1S/C23H40N4O2/c1-7-26(8-2)16-20(28)17-27-14-12-23(13-15-27,25(5)6)22(29)24-21-18(3)10-9-11-19(21)4/h9-11,20,28H,7-8,12-17H2,1-6H3,(H,24,29)
InChIKeyYWNHNCQQBOTPLU-UHFFFAOYSA-N
XLogP2.34
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-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

1-[3,3-bis(benzylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 88621114
1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380203
4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 70380263
acetic acid;4-(dimethylamino)-N-(2,6-dimethylphenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide
CID 70380121
acetic acid;4-(dimethylamino)-N-(2,6-dimethylphenyl)-1-(2-hydroxycyclohexyl)piperidine-4-carboxamide
CID 70380108
1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 830885
1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380293
1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380107
CID 89442401
CID 89442401
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide
CID 142082035
benzyl 4-[(2-chloro-6-methylphenyl)carbamoyl]-4-(dimethylamino)piperidine-1-carboxylate
CID 70380131
ethyl 4-[acetyl(benzyl)amino]-4-[(2,6-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 70380170

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (CID 70380055) is 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is CCN(CC)CC(O)CN1CCC(C(=O)Nc2c(C)cccc2C)(N(C)C)CC1.
What is the InChIKey of 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is YWNHNCQQBOTPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2/c1-7-26(8-2)16-20(28)17-27-14-12-23(13-15-27,25(5)6)22(29)24-21-18(3)10-9-11-19(21)4/h9-11,20,28H,7-8,12-17H2,1-6H3,(H,24,29).
What are the key properties of 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 404.60 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 70380055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).