N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide

C18H22N4O3 — CID 125441871

IUPACN-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide
SMILESCCCc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)[nH]1
InChIInChI=1S/C18H22N4O3/c1-2-4-13-11-16(23)22(21-13)14-8-6-12(7-9-14)17(24)20-15-5-3-10-19-18(15)25/h6-9,11,15,21H,2-5,10H2,1H3,(H,19,25)(H,20,24)/t15-/m0/s1
InChIKeyMSYYWJBDCOBXCW-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.13
Rot. Bonds5

About N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide

N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide (PubChem CID 125441871) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide
PubChem CID125441871
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide
SMILESCCCc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)[nH]1
InChIInChI=1S/C18H22N4O3/c1-2-4-13-11-16(23)22(21-13)14-8-6-12(7-9-14)17(24)20-15-5-3-10-19-18(15)25/h6-9,11,15,21H,2-5,10H2,1H3,(H,19,25)(H,20,24)/t15-/m0/s1
InChIKeyMSYYWJBDCOBXCW-HNNXBMFYSA-N
XLogP1.13
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 126428801
3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 94799711
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589
4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide
CID 42479257
6-(methylamino)-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62180415
4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide
CID 95886609

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide?
The IUPAC name of N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide (CID 125441871) is N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide.
What is the SMILES notation for N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide?
The canonical SMILES for N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide is CCCc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)[nH]1.
What is the InChIKey of N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide?
The InChIKey is MSYYWJBDCOBXCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-4-13-11-16(23)22(21-13)14-8-6-12(7-9-14)17(24)20-15-5-3-10-19-18(15)25/h6-9,11,15,21H,2-5,10H2,1H3,(H,19,25)(H,20,24)/t15-/m0/s1.
What are the key properties of N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide?
N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide is sourced from PubChem (CID 125441871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).