2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide

C17H31N3O4 — CID 97347967

IUPAC2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide
SMILESCCCCOCC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O
InChIInChI=1S/C17H31N3O4/c1-2-3-11-24-14-16(21)18-15-5-4-6-20(17(15)22)8-7-19-9-12-23-13-10-19/h15H,2-14H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyPZHPDQRKVMXWPG-HNNXBMFYSA-N
MW341.45 g/mol
LogP0.24
Rot. Bonds9

About 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide

2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide (PubChem CID 97347967) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide
PubChem CID97347967
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide
SMILESCCCCOCC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O
InChIInChI=1S/C17H31N3O4/c1-2-3-11-24-14-16(21)18-15-5-4-6-20(17(15)22)8-7-19-9-12-23-13-10-19/h15H,2-14H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyPZHPDQRKVMXWPG-HNNXBMFYSA-N
XLogP0.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-[1-(2-Methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134798406
4-(Piperidin-2-ylcarbonyl)morpholine
CID 2794700
(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9423832
N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032231
N-{2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl}-N-methylpiperidin-4-amine
CID 70754523
N-{2-[(1-Acetylpiperidin-4-YL)(oxan-4-YL)amino]ethyl}-2-methoxyacetamide
CID 132446288
morpholin-4-yl-[(2R)-piperidin-2-yl]methanone
CID 7020385
N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10177369
N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10179195
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10180374
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10293594
9-(2-Methoxyacetyl)-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21926166

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide (CID 97347967) is 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide is CCCCOCC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O.
What is the InChIKey of 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide?
The InChIKey is PZHPDQRKVMXWPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-2-3-11-24-14-16(21)18-15-5-4-6-20(17(15)22)8-7-19-9-12-23-13-10-19/h15H,2-14H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide?
2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 0.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 97347967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).