N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride

C19H30ClN3O2 — CID 119766235

IUPACN-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCCC(CNC(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)11-17(20)19(24)22-10-6-7-15(13-22)12-21-18(23)16-8-4-3-5-9-16;/h3-5,8-9,14-15,17H,6-7,10-13,20H2,1-2H3,(H,21,23);1H/t15?,17-;/m0./s1
InChIKeyCLDYQJQFGVCENM-RAOUYDSVSA-N
MW367.92 g/mol
LogP2.45
Rot. Bonds6

About N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride

N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride (PubChem CID 119766235) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
PubChem CID119766235
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCCC(CNC(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)11-17(20)19(24)22-10-6-7-15(13-22)12-21-18(23)16-8-4-3-5-9-16;/h3-5,8-9,14-15,17H,6-7,10-13,20H2,1-2H3,(H,21,23);1H/t15?,17-;/m0./s1
InChIKeyCLDYQJQFGVCENM-RAOUYDSVSA-N
XLogP2.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 119766222
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]-2-methylpropanamide;hydrochloride
CID 119761592
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
(2S)-2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155100
(2S)-2-amino-1-(4-benzoylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119699780
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
CID 120991771
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride?
The IUPAC name of N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride (CID 119766235) is N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride is CC(C)C[C@H](N)C(=O)N1CCCC(CNC(=O)c2ccccc2)C1.Cl.
What is the InChIKey of N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride?
The InChIKey is CLDYQJQFGVCENM-RAOUYDSVSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14(2)11-17(20)19(24)22-10-6-7-15(13-22)12-21-18(23)16-8-4-3-5-9-16;/h3-5,8-9,14-15,17H,6-7,10-13,20H2,1-2H3,(H,21,23);1H/t15?,17-;/m0./s1.
What are the key properties of N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride?
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119766235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).