N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide

C20H27N3O4 — CID 93197604

IUPACN-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)NC2CC2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H27N3O4/c1-13(24)23-11-9-14(10-12-23)18(20(26)21-16-5-6-16)22-19(25)15-3-7-17(27-2)8-4-15/h3-4,7-8,14,16,18H,5-6,9-12H2,1-2H3,(H,21,26)(H,22,25)/t18-/m0/s1
InChIKeyLMQKAJMBGXTPSV-SFHVURJKSA-N
MW373.45 g/mol
LogP1.33
Rot. Bonds6

About N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide

N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 93197604) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide
PubChem CID93197604
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)NC2CC2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H27N3O4/c1-13(24)23-11-9-14(10-12-23)18(20(26)21-16-5-6-16)22-19(25)15-3-7-17(27-2)8-4-15/h3-4,7-8,14,16,18H,5-6,9-12H2,1-2H3,(H,21,26)(H,22,25)/t18-/m0/s1
InChIKeyLMQKAJMBGXTPSV-SFHVURJKSA-N
XLogP1.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42840312
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019501
N-[(1R)-2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199855
4-methoxy-N-[(1S)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 93197506
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 93197583
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197434
4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020666
4-methoxy-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 46019587
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019487
N-[1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46020733
N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46151791
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 46020351

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide (CID 93197604) is N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](C(=O)NC2CC2)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is LMQKAJMBGXTPSV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13(24)23-11-9-14(10-12-23)18(20(26)21-16-5-6-16)22-19(25)15-3-7-17(27-2)8-4-15/h3-4,7-8,14,16,18H,5-6,9-12H2,1-2H3,(H,21,26)(H,22,25)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide?
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 373.45 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 93197604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).