(2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

C18H24N4O3 — CID 95759921

IUPAC(2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESC[C@H]1C(=O)NCCN1C(=O)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C18H24N4O3/c1-13-17(24)19-8-10-21(13)18(25)20-12-14-5-4-6-15(11-14)22-9-3-2-7-16(22)23/h4-6,11,13H,2-3,7-10,12H2,1H3,(H,19,24)(H,20,25)/t13-/m0/s1
InChIKeyVPOJMKHSRRQLPG-ZDUSSCGKSA-N
MW344.42 g/mol
LogP1.23
Rot. Bonds3

About (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

(2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 95759921) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID95759921
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESC[C@H]1C(=O)NCCN1C(=O)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C18H24N4O3/c1-13-17(24)19-8-10-21(13)18(25)20-12-14-5-4-6-15(11-14)22-9-3-2-7-16(22)23/h4-6,11,13H,2-3,7-10,12H2,1H3,(H,19,24)(H,20,25)/t13-/m0/s1
InChIKeyVPOJMKHSRRQLPG-ZDUSSCGKSA-N
XLogP1.23
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
4-(methoxymethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120622513
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
(3R)-1-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95904457
(2R)-2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 94669760
2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 51093134
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39002604
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 51092564

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (CID 95759921) is (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is C[C@H]1C(=O)NCCN1C(=O)NCc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is VPOJMKHSRRQLPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-17(24)19-8-10-21(13)18(25)20-12-14-5-4-6-15(11-14)22-9-3-2-7-16(22)23/h4-6,11,13H,2-3,7-10,12H2,1H3,(H,19,24)(H,20,25)/t13-/m0/s1.
What are the key properties of (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
(2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-oxo-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 95759921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).