4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide

C21H32N4O4 — CID 95788878

IUPAC4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCC[C@H](CO)N1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1
InChIInChI=1S/C21H32N4O4/c1-3-17(15-26)23-10-12-24(13-11-23)21(28)22-16-7-8-19(29-2)18(14-16)25-9-5-4-6-20(25)27/h7-8,14,17,26H,3-6,9-13,15H2,1-2H3,(H,22,28)/t17-/m1/s1
InChIKeyXZTNRYLWPQJVBR-QGZVFWFLSA-N
MW404.51 g/mol
LogP2.13
Rot. Bonds6

About 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide

4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 95788878) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID95788878
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCC[C@H](CO)N1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1
InChIInChI=1S/C21H32N4O4/c1-3-17(15-26)23-10-12-24(13-11-23)21(28)22-16-7-8-19(29-2)18(14-16)25-9-5-4-6-20(25)27/h7-8,14,17,26H,3-6,9-13,15H2,1-2H3,(H,22,28)/t17-/m1/s1
InChIKeyXZTNRYLWPQJVBR-QGZVFWFLSA-N
XLogP2.13
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55743164
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55743294
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 47050888
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112829527
1-(4-ethoxyphenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
CID 43076214
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide (CID 95788878) is 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide is CC[C@H](CO)N1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1.
What is the InChIKey of 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is XZTNRYLWPQJVBR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-3-17(15-26)23-10-12-24(13-11-23)21(28)22-16-7-8-19(29-2)18(14-16)25-9-5-4-6-20(25)27/h7-8,14,17,26H,3-6,9-13,15H2,1-2H3,(H,22,28)/t17-/m1/s1.
What are the key properties of 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide?
4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 95788878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).