5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

C22H29N4O2+ — CID 7341699

IUPAC5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
SMILESC[C@@H](NC(=O)CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-18(19-8-3-2-4-9-19)24-21(27)11-7-12-22(28)26-16-14-25(15-17-26)20-10-5-6-13-23-20/h2-6,8-10,13,18H,7,11-12,14-17H2,1H3,(H,24,27)/p+1/t18-/m1/s1
InChIKeySFBJSSWPVOQEGH-GOSISDBHSA-O
MW381.50 g/mol
LogP2.20
Rot. Bonds7

About 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide (PubChem CID 7341699) has the molecular formula C22H29N4O2+ and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound Name5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
PubChem CID7341699
Molecular FormulaC22H29N4O2+
Molecular Weight381.50 g/mol
Exact Mass381.23
IUPAC Name5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
SMILESC[C@@H](NC(=O)CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-18(19-8-3-2-4-9-19)24-21(27)11-7-12-22(28)26-16-14-25(15-17-26)20-10-5-6-13-23-20/h2-6,8-10,13,18H,7,11-12,14-17H2,1H3,(H,24,27)/p+1/t18-/m1/s1
InChIKeySFBJSSWPVOQEGH-GOSISDBHSA-O
XLogP2.20
TPSA66.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide with MolForge

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Launch Full Analysis

Related Compounds

4-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide
CID 7318184
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione
CID 7332864
1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 7324529
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione
CID 7341459
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
(3R)-3-methyl-5-oxo-N-(4-propan-2-ylphenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
CID 7334561
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium
CID 8683566
(3R)-3-methyl-N-(4-methylphenyl)-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
CID 7341701
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
CID 109020253

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide?
The IUPAC name of 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide (CID 7341699) is 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide.
What is the SMILES notation for 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide?
The canonical SMILES for 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide is C[C@@H](NC(=O)CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1.
What is the InChIKey of 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide?
The InChIKey is SFBJSSWPVOQEGH-GOSISDBHSA-O. The full InChI is InChI=1S/C22H28N4O2/c1-18(19-8-3-2-4-9-19)24-21(27)11-7-12-22(28)26-16-14-25(15-17-26)20-10-5-6-13-23-20/h2-6,8-10,13,18H,7,11-12,14-17H2,1H3,(H,24,27)/p+1/t18-/m1/s1.
What are the key properties of 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide?
5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide has a molecular weight of 381.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 7341699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).