N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide

C21H35N3O4 — CID 46037052

IUPACN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOCCCNC(=O)C(NC(=O)C1CC1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H35N3O4/c1-28-14-4-11-22-20(26)18(23-19(25)16-7-8-16)15-9-12-24(13-10-15)21(27)17-5-2-3-6-17/h15-18H,2-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyIIFZZXOMNLSRGF-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.46
Rot. Bonds9

About N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide

N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 46037052) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID46037052
Molecular FormulaC21H35N3O4
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC NameN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOCCCNC(=O)C(NC(=O)C1CC1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H35N3O4/c1-28-14-4-11-22-20(26)18(23-19(25)16-7-8-16)15-9-12-24(13-10-15)21(27)17-5-2-3-6-17/h15-18H,2-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyIIFZZXOMNLSRGF-UHFFFAOYSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.46
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

1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 46037046
N-[(1R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199318
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019487
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196589
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 42847712
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93183233
N-[(1R)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-methylbenzamide
CID 93200421
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide (CID 46037052) is N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide is COCCCNC(=O)C(NC(=O)C1CC1)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is IIFZZXOMNLSRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4/c1-28-14-4-11-22-20(26)18(23-19(25)16-7-8-16)15-9-12-24(13-10-15)21(27)17-5-2-3-6-17/h15-18H,2-14H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide?
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 393.53 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46037052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).