N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide

C24H35N3O4 — CID 93196589

IUPACN-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCOCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C24H35N3O4/c1-17-7-3-6-10-20(17)22(28)26-21(23(29)25-13-16-31-2)18-11-14-27(15-12-18)24(30)19-8-4-5-9-19/h3,6-7,10,18-19,21H,4-5,8-9,11-16H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyWDQRSKSEUUGFLH-NRFANRHFSA-N
MW429.56 g/mol
LogP2.28
Rot. Bonds8

About N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide

N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 93196589) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
PubChem CID93196589
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCOCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C24H35N3O4/c1-17-7-3-6-10-20(17)22(28)26-21(23(29)25-13-16-31-2)18-11-14-27(15-12-18)24(30)19-8-4-5-9-19/h3,6-7,10,18-19,21H,4-5,8-9,11-16H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyWDQRSKSEUUGFLH-NRFANRHFSA-N
XLogP2.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.28
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

N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129
N-[(1R)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93196594
N-[(1R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199318
N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 42840222
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019124
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 93196523
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196576
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019487
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide (CID 93196589) is N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide is COCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is WDQRSKSEUUGFLH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-17-7-3-6-10-20(17)22(28)26-21(23(29)25-13-16-31-2)18-11-14-27(15-12-18)24(30)19-8-4-5-9-19/h3,6-7,10,18-19,21H,4-5,8-9,11-16H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 429.56 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 93196589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).