(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride

C11H25Cl2N3O — CID 119851018

IUPAC(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
SMILESCC1CCCN(CCNC(=O)[C@@H](C)N)C1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-9-4-3-6-14(8-9)7-5-13-11(15)10(2)12;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t9?,10-;;/m1../s1
InChIKeyKKWQVXPVZDOFEG-RBWXRWSZSA-N
MW286.25 g/mol
LogP1.03
Rot. Bonds4

About (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride

(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119851018) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
PubChem CID119851018
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
SMILESCC1CCCN(CCNC(=O)[C@@H](C)N)C1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-9-4-3-6-14(8-9)7-5-13-11(15)10(2)12;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t9?,10-;;/m1../s1
InChIKeyKKWQVXPVZDOFEG-RBWXRWSZSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119852698
(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
CID 119852727
(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide
CID 98752523
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 110896167
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
N-[2-(3-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 51080907

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride (CID 119851018) is (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride is CC1CCCN(CCNC(=O)[C@@H](C)N)C1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is KKWQVXPVZDOFEG-RBWXRWSZSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-9-4-3-6-14(8-9)7-5-13-11(15)10(2)12;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t9?,10-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119851018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).