(3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

C21H27N4O2+ — CID 7343301

IUPAC(3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
SMILESC[C@H](CC(=O)Nc1ccccc1)CC(=O)N1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(15-20(26)23-18-7-3-2-4-8-18)16-21(27)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1
InChIKeyPVPXIBLIRBBNHD-QGZVFWFLSA-O
MW367.47 g/mol
LogP2.20
Rot. Bonds6

About (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

(3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide (PubChem CID 7343301) has the molecular formula C21H27N4O2+ and a molecular weight of 367.47 g/mol. Its IUPAC name is (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound Name(3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
PubChem CID7343301
Molecular FormulaC21H27N4O2+
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name(3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
SMILESC[C@H](CC(=O)Nc1ccccc1)CC(=O)N1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(15-20(26)23-18-7-3-2-4-8-18)16-21(27)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1
InChIKeyPVPXIBLIRBBNHD-QGZVFWFLSA-O
XLogP2.20
TPSA66.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-methyl-N-(4-methylphenyl)-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
CID 7341703
(3R)-3-methyl-N-(4-methylphenyl)-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
CID 7341701
(3R)-3-methyl-5-oxo-N-(4-propan-2-ylphenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
CID 7334561
5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
CID 7341699
4-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide
CID 7318184
1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 7324529
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium
CID 8556530
2-phenyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide
CID 3667014
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium
CID 8683566
2,2-dimethyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one
CID 7462149
N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 6958621
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium
CID 8695435

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide?
The IUPAC name of (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide (CID 7343301) is (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide.
What is the SMILES notation for (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide?
The canonical SMILES for (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide is C[C@H](CC(=O)Nc1ccccc1)CC(=O)N1CCN(c2cccc[nH+]2)CC1.
What is the InChIKey of (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide?
The InChIKey is PVPXIBLIRBBNHD-QGZVFWFLSA-O. The full InChI is InChI=1S/C21H26N4O2/c1-17(15-20(26)23-18-7-3-2-4-8-18)16-21(27)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1.
What are the key properties of (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide?
(3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide has a molecular weight of 367.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 7343301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).