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

C14H28ClN3O2 — CID 119798033

IUPAC2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
SMILESCNC(=O)CC1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(2)8-12(15)14(19)17-6-4-11(5-7-17)9-13(18)16-3;/h10-12H,4-9,15H2,1-3H3,(H,16,18);1H/t12-;/m0./s1
InChIKeyBPBWNHJWJTWBJS-YDALLXLXSA-N
MW305.85 g/mol
LogP1.16
Rot. Bonds5

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

2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride (PubChem CID 119798033) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
PubChem CID119798033
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
SMILESCNC(=O)CC1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(2)8-12(15)14(19)17-6-4-11(5-7-17)9-13(18)16-3;/h10-12H,4-9,15H2,1-3H3,(H,16,18);1H/t12-;/m0./s1
InChIKeyBPBWNHJWJTWBJS-YDALLXLXSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride (CID 119798033) is 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride is CNC(=O)CC1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl.
What is the InChIKey of 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride?
The InChIKey is BPBWNHJWJTWBJS-YDALLXLXSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-10(2)8-12(15)14(19)17-6-4-11(5-7-17)9-13(18)16-3;/h10-12H,4-9,15H2,1-3H3,(H,16,18);1H/t12-;/m0./s1.
What are the key properties of 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride?
2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119798033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).