N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C20H30N2O3 — CID 94521670

IUPACN-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-15(2)16(3)21-20(24)17-9-12-22(13-10-17)19(23)11-14-25-18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyOKOUXGYGNZTVRI-INIZCTEOSA-N
MW346.47 g/mol
LogP2.85
Rot. Bonds7

About N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 94521670) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID94521670
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-15(2)16(3)21-20(24)17-9-12-22(13-10-17)19(23)11-14-25-18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyOKOUXGYGNZTVRI-INIZCTEOSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55912812
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 94521670) is N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CC(C)[C@H](C)NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is OKOUXGYGNZTVRI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)16(3)21-20(24)17-9-12-22(13-10-17)19(23)11-14-25-18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 94521670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).