1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide

C21H33N3O2 — CID 55873731

IUPAC1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCN(CC)c2ccccc2C)CC1
InChIInChI=1S/C21H33N3O2/c1-4-8-20(25)24-14-11-18(12-15-24)21(26)22-13-16-23(5-2)19-10-7-6-9-17(19)3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,26)
InChIKeyFBIUTXTUGKSTBF-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.98
Rot. Bonds8

About 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide

1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide (PubChem CID 55873731) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
PubChem CID55873731
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCN(CC)c2ccccc2C)CC1
InChIInChI=1S/C21H33N3O2/c1-4-8-20(25)24-14-11-18(12-15-24)21(26)22-13-16-23(5-2)19-10-7-6-9-17(19)3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,26)
InChIKeyFBIUTXTUGKSTBF-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438226
1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929461
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112827008
(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 120798364
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119853416
1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002415

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide (CID 55873731) is 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NCCN(CC)c2ccccc2C)CC1.
What is the InChIKey of 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is FBIUTXTUGKSTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-4-8-20(25)24-14-11-18(12-15-24)21(26)22-13-16-23(5-2)19-10-7-6-9-17(19)3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3,(H,22,26).
What are the key properties of 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide?
1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55873731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).