N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide

C19H28N2O2 — CID 24540035

IUPACN-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H28N2O2/c1-4-15(3)17(19(23)21-12-10-14(2)11-13-21)20-18(22)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyIBGWVRLWFSECHR-RDJZCZTQSA-N
MW316.44 g/mol
LogP3.09
Rot. Bonds5

About N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide (PubChem CID 24540035) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
PubChem CID24540035
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H28N2O2/c1-4-15(3)17(19(23)21-12-10-14(2)11-13-21)20-18(22)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyIBGWVRLWFSECHR-RDJZCZTQSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119645390
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119410430
N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297
N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide
CID 94330160
N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55339430
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
4-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119542592
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide (CID 24540035) is N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C)CC1.
What is the InChIKey of N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide?
The InChIKey is IBGWVRLWFSECHR-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-15(3)17(19(23)21-12-10-14(2)11-13-21)20-18(22)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide has a molecular weight of 316.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 24540035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).