4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide

C21H32N4O4 — CID 93183233

IUPAC4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCCCOC)CC1
InChIInChI=1S/C21H32N4O4/c1-3-22-21(28)25-13-10-16(11-14-25)18(20(27)23-12-7-15-29-2)24-19(26)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,22,28)(H,23,27)(H,24,26)/t18-/m0/s1
InChIKeyZADSCSGCTFJDTP-SFHVURJKSA-N
MW404.51 g/mol
LogP1.38
Rot. Bonds9

About 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide

4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 93183233) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
PubChem CID93183233
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCCCOC)CC1
InChIInChI=1S/C21H32N4O4/c1-3-22-21(28)25-13-10-16(11-14-25)18(20(27)23-12-7-15-29-2)24-19(26)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,22,28)(H,23,27)(H,24,26)/t18-/m0/s1
InChIKeyZADSCSGCTFJDTP-SFHVURJKSA-N
XLogP1.38
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[(1R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199318
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
4-methoxy-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide
CID 46019541
N-[(1R)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-methylbenzamide
CID 93200421
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020533
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 46016071
4-[(1R)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200107
4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200047
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
N-[1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46020733

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide (CID 93183233) is 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCCCOC)CC1.
What is the InChIKey of 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is ZADSCSGCTFJDTP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-3-22-21(28)25-13-10-16(11-14-25)18(20(27)23-12-7-15-29-2)24-19(26)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,22,28)(H,23,27)(H,24,26)/t18-/m0/s1.
What are the key properties of 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide?
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 93183233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).