N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C21H33N3O3 — CID 119643819

IUPACN-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C21H33N3O3/c1-3-21(22,4-2)16-23-20(26)17-10-13-24(14-11-17)19(25)12-15-27-18-8-6-5-7-9-18/h5-9,17H,3-4,10-16,22H2,1-2H3,(H,23,26)
InChIKeyRDENWERCZPQHBV-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.33
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 119643819) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID119643819
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C21H33N3O3/c1-3-21(22,4-2)16-23-20(26)17-10-13-24(14-11-17)19(25)12-15-27-18-8-6-5-7-9-18/h5-9,17H,3-4,10-16,22H2,1-2H3,(H,23,26)
InChIKeyRDENWERCZPQHBV-UHFFFAOYSA-N
XLogP2.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119192173
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 119643819) is N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CCC(N)(CC)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is RDENWERCZPQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-3-21(22,4-2)16-23-20(26)17-10-13-24(14-11-17)19(25)12-15-27-18-8-6-5-7-9-18/h5-9,17H,3-4,10-16,22H2,1-2H3,(H,23,26).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 119643819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).