N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide

C19H33N3O4 — CID 46032268

IUPACN-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCOCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H33N3O4/c1-13(2)12-16(23)21-17(18(24)20-8-11-26-3)14-6-9-22(10-7-14)19(25)15-4-5-15/h13-15,17H,4-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyMISCTYAWDBAMDV-UHFFFAOYSA-N
MW367.49 g/mol
LogP0.93
Rot. Bonds9

About N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide

N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 46032268) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide
PubChem CID46032268
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC NameN-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCOCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H33N3O4/c1-13(2)12-16(23)21-17(18(24)20-8-11-26-3)14-6-9-22(10-7-14)19(25)15-4-5-15/h13-15,17H,4-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyMISCTYAWDBAMDV-UHFFFAOYSA-N
XLogP0.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
(2S)-2-[[(2S)-2-[acetyl(3-ethoxypropyl)amino]-4-methylpentanoyl]amino]-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 45273241
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide dihydrochloride
CID 43810708
(2S)-2-[[2-[acetyl(3-ethoxypropyl)amino]-4-methylpentanoyl]amino]-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 45272368
N-(1-methoxypropan-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 45796799
Cambridge id 5488718
CID 2849065
2-Amino-1-[7-(2-amino-3-methylpentanoyl)-4,10-dioxa-1,7-diazacyclododecyl]-3-m ethylpentan-1-one
CID 3110904
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-methoxyethyl)oxalamide
CID 16886587
N1-cyclopentyl-N2-((1-(2-methoxyethyl)piperidin-4-yl)methyl)oxalamide
CID 16886658
N1-isopropyl-N2-((1-(2-methoxyethyl)piperidin-4-yl)methyl)oxalamide
CID 16886714
N1-((1-cyclopentylpiperidin-4-yl)methyl)-N2-(2-methoxyethyl)oxalamide
CID 16886757

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide (CID 46032268) is N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide is COCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is MISCTYAWDBAMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-13(2)12-16(23)21-17(18(24)20-8-11-26-3)14-6-9-22(10-7-14)19(25)15-4-5-15/h13-15,17H,4-12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide?
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 367.49 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 46032268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).