(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide

C20H31N3O2 — CID 99926435

IUPAC(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide
SMILESCCN1CCC(N(CCc2ccccn2)C(=O)[C@@H]2CCCCO2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-22-13-10-18(11-14-22)23(15-9-17-7-3-5-12-21-17)20(24)19-8-4-6-16-25-19/h3,5,7,12,18-19H,2,4,6,8-11,13-16H2,1H3/t19-/m0/s1
InChIKeyHPKDOMASSJWFNA-IBGZPJMESA-N
MW345.49 g/mol
LogP2.51
Rot. Bonds6

About (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide

(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide (PubChem CID 99926435) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide
PubChem CID99926435
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide
SMILESCCN1CCC(N(CCc2ccccn2)C(=O)[C@@H]2CCCCO2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-22-13-10-18(11-14-22)23(15-9-17-7-3-5-12-21-17)20(24)19-8-4-6-16-25-19/h3,5,7,12,18-19H,2,4,6,8-11,13-16H2,1H3/t19-/m0/s1
InChIKeyHPKDOMASSJWFNA-IBGZPJMESA-N
XLogP2.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide with MolForge

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Related Compounds

N-(1-ethylpiperidin-4-yl)-4-methyl-N-(2-pyridin-2-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 138810100
N-(1-ethylpiperidin-4-yl)-3-methyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 154571089
(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 42171769
2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
CID 45179784
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426726
4-[cyclobutyl(2-pyridin-2-ylethyl)carbamoyl]-5-methylthiophene-2-carboxylic acid
CID 154870204
1-ethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 77086023
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)oxolane-2-carboxamide
CID 45169703

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide?
The IUPAC name of (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide (CID 99926435) is (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide?
The canonical SMILES for (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide is CCN1CCC(N(CCc2ccccn2)C(=O)[C@@H]2CCCCO2)CC1.
What is the InChIKey of (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide?
The InChIKey is HPKDOMASSJWFNA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-22-13-10-18(11-14-22)23(15-9-17-7-3-5-12-21-17)20(24)19-8-4-6-16-25-19/h3,5,7,12,18-19H,2,4,6,8-11,13-16H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide?
(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide is sourced from PubChem (CID 99926435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).