1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide

C20H31N3O2 — CID 86920153

IUPAC1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C20H31N3O2/c1-4-11-21-20(25)16-9-12-23(13-10-16)14-19(24)22-18-8-6-5-7-17(18)15(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDBSJMIYVUIXETM-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.99
Rot. Bonds7

About 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide

1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 86920153) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
PubChem CID86920153
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C20H31N3O2/c1-4-11-21-20(25)16-9-12-23(13-10-16)14-19(24)22-18-8-6-5-7-17(18)15(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDBSJMIYVUIXETM-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073
2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 136522491
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55663286
ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931532
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide (CID 86920153) is 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(CC(=O)Nc2ccccc2C(C)C)CC1.
What is the InChIKey of 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is DBSJMIYVUIXETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-11-21-20(25)16-9-12-23(13-10-16)14-19(24)22-18-8-6-5-7-17(18)15(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide?
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 86920153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).