1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide

C24H33N5O5 — CID 73139083

IUPAC1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3CCNCC3)CC2C(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C24H33N5O5/c1-34-18-6-4-16(5-7-18)24(33)29-14-13-28(23(32)17-8-11-25-12-9-17)15-20(29)22(31)27-19-3-2-10-26-21(19)30/h4-7,17,19-20,25H,2-3,8-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyJMLYIDQYGTYASQ-UHFFFAOYSA-N
MW471.56 g/mol
LogP-0.26
Rot. Bonds5

About 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide

1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 73139083) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
PubChem CID73139083
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3CCNCC3)CC2C(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C24H33N5O5/c1-34-18-6-4-16(5-7-18)24(33)29-14-13-28(23(32)17-8-11-25-12-9-17)15-20(29)22(31)27-19-3-2-10-26-21(19)30/h4-7,17,19-20,25H,2-3,8-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyJMLYIDQYGTYASQ-UHFFFAOYSA-N
XLogP-0.26
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 11912207
(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9381953
(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163097256
(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912362
(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682218
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588
(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9419644
(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682216
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
(2S)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 78524288
(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162809347

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide (CID 73139083) is 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)C3CCNCC3)CC2C(=O)NC2CCCNC2=O)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is JMLYIDQYGTYASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-34-18-6-4-16(5-7-18)24(33)29-14-13-28(23(32)17-8-11-25-12-9-17)15-20(29)22(31)27-19-3-2-10-26-21(19)30/h4-7,17,19-20,25H,2-3,8-15H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 73139083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).