N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide

C26H31N3O4 — CID 42840312

IUPACN-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC2CC2)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C26H31N3O4/c1-17-3-5-20(6-4-17)26(32)29-15-13-18(14-16-29)23(25(31)27-21-9-10-21)28-24(30)19-7-11-22(33-2)12-8-19/h3-8,11-12,18,21,23H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyJDPCQTCMTQXLDS-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.93
Rot. Bonds7

About N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide

N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 42840312) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
PubChem CID42840312
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC2CC2)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C26H31N3O4/c1-17-3-5-20(6-4-17)26(32)29-15-13-18(14-16-29)23(25(31)27-21-9-10-21)28-24(30)19-7-11-22(33-2)12-8-19/h3-8,11-12,18,21,23H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyJDPCQTCMTQXLDS-UHFFFAOYSA-N
XLogP2.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199855
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197604
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 46020513
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199805
N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46151791
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
3-methoxy-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198291
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-4-methoxybenzamide
CID 93197533
N-[2-(butan-2-ylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-4-methoxybenzamide
CID 46019510
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide (CID 42840312) is N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C(=O)NC2CC2)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is JDPCQTCMTQXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-17-3-5-20(6-4-17)26(32)29-15-13-18(14-16-29)23(25(31)27-21-9-10-21)28-24(30)19-7-11-22(33-2)12-8-19/h3-8,11-12,18,21,23H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide?
N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 449.55 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 42840312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).