N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide

C20H31N3O2 — CID 94330160

IUPACN-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide
SMILESCCCN1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)CC1
InChIInChI=1S/C20H31N3O2/c1-4-11-22-12-14-23(15-13-22)20(25)18(16(3)5-2)21-19(24)17-9-7-6-8-10-17/h6-10,16,18H,4-5,11-15H2,1-3H3,(H,21,24)/t16-,18-/m0/s1
InChIKeyIKVKHJXYKHDGQN-WMZOPIPTSA-N
MW345.49 g/mol
LogP2.39
Rot. Bonds7

About N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide

N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide (PubChem CID 94330160) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide
PubChem CID94330160
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide
SMILESCCCN1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)CC1
InChIInChI=1S/C20H31N3O2/c1-4-11-22-12-14-23(15-13-22)20(25)18(16(3)5-2)21-19(24)17-9-7-6-8-10-17/h6-10,16,18H,4-5,11-15H2,1-3H3,(H,21,24)/t16-,18-/m0/s1
InChIKeyIKVKHJXYKHDGQN-WMZOPIPTSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
CID 24540035
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 112760065
N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55339430
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119645390
4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55851363
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
4-methyl-N-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]benzamide
CID 42704022
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119410430
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436
N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide (CID 94330160) is N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide is CCCN1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)CC1.
What is the InChIKey of N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide?
The InChIKey is IKVKHJXYKHDGQN-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-11-22-12-14-23(15-13-22)20(25)18(16(3)5-2)21-19(24)17-9-7-6-8-10-17/h6-10,16,18H,4-5,11-15H2,1-3H3,(H,21,24)/t16-,18-/m0/s1.
What are the key properties of N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide?
N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide is sourced from PubChem (CID 94330160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).