2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride

C13H29Cl2N3O — CID 119834613

IUPAC2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
SMILESCC1CCCCN1CCCNC(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-11-7-4-5-9-16(11)10-6-8-15-12(17)13(2,3)14;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H
InChIKeyQWRKSFMSZLDQDO-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.95
Rot. Bonds5

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

2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride (PubChem CID 119834613) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
PubChem CID119834613
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
SMILESCC1CCCCN1CCCNC(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-11-7-4-5-9-16(11)10-6-8-15-12(17)13(2,3)14;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H
InChIKeyQWRKSFMSZLDQDO-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
3-amino-3-hydroxyimino-2,2-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 76920555
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
2,2-dimethyl-4-[3-(2-methylpiperidin-1-yl)propylamino]-4-oxobutanoic acid
CID 65297461
tert-butyl N-[3-[3-(2-methylpiperidin-1-yl)propylamino]propyl]carbamate
CID 103821611
3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride (CID 119834613) is 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride is CC1CCCCN1CCCNC(=O)C(C)(C)N.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride?
The InChIKey is QWRKSFMSZLDQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-11-7-4-5-9-16(11)10-6-8-15-12(17)13(2,3)14;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 119834613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).