4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide

C24H33N3O4 — CID 42189573

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide
SMILESCCN1C[C@H](CN(C)C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1=O
InChIInChI=1S/C24H33N3O4/c1-3-26-16-17(14-22(26)28)15-25(2)23(29)18-6-8-20(9-7-18)31-21-10-12-27(13-11-21)24(30)19-4-5-19/h6-9,17,19,21H,3-5,10-16H2,1-2H3/t17-/m0/s1
InChIKeyKXLGEJJCQRDPFC-KRWDZBQOSA-N
MW427.55 g/mol
LogP2.41
Rot. Bonds7

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide (PubChem CID 42189573) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide
PubChem CID42189573
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide
SMILESCCN1C[C@H](CN(C)C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1=O
InChIInChI=1S/C24H33N3O4/c1-3-26-16-17(14-22(26)28)15-25(2)23(29)18-6-8-20(9-7-18)31-21-10-12-27(13-11-21)24(30)19-4-5-19/h6-9,17,19,21H,3-5,10-16H2,1-2H3/t17-/m0/s1
InChIKeyKXLGEJJCQRDPFC-KRWDZBQOSA-N
XLogP2.41
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97141344
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
(3S)-4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 26407564
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 45200875
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45196587
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 26396856
4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119075095
(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093431
(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide (CID 42189573) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide is CCN1C[C@H](CN(C)C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1=O.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is KXLGEJJCQRDPFC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-3-26-16-17(14-22(26)28)15-25(2)23(29)18-6-8-20(9-7-18)31-21-10-12-27(13-11-21)24(30)19-4-5-19/h6-9,17,19,21H,3-5,10-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 427.55 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 42189573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).