(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

C18H24N4O4 — CID 7682216

IUPAC(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1
InChIInChI=1S/C18H24N4O4/c1-26-13-6-4-12(5-7-13)18(25)22-10-9-19-15(11-22)17(24)21-14-3-2-8-20-16(14)23/h4-7,14-15,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15+/m0/s1
InChIKeySJXPQLLJGVOMCJ-LSDHHAIUSA-N
MW360.41 g/mol
LogP-0.50
Rot. Bonds4

About (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 7682216) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
PubChem CID7682216
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1
InChIInChI=1S/C18H24N4O4/c1-26-13-6-4-12(5-7-13)18(25)22-10-9-19-15(11-22)17(24)21-14-3-2-8-20-16(14)23/h4-7,14-15,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15+/m0/s1
InChIKeySJXPQLLJGVOMCJ-LSDHHAIUSA-N
XLogP-0.50
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163097256
(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682218
(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9381953
methyl 4-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454952
(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9423832
(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 11912207
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 73139083
(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912362
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(2R)-4-(morpholine-4-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682222
4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 122556803
(2R)-4-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperazine-2-carboxamide
CID 163136257

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 7682216) is (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is COc1ccc(C(=O)N2CCN[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1.
What is the InChIKey of (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The InChIKey is SJXPQLLJGVOMCJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-26-13-6-4-12(5-7-13)18(25)22-10-9-19-15(11-22)17(24)21-14-3-2-8-20-16(14)23/h4-7,14-15,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15+/m0/s1.
What are the key properties of (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 7682216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).