2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride

C13H27Cl2N3O — CID 119866901

IUPAC2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
SMILESCN1CCC(CNC(=O)CNCC2CC2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-16-6-4-12(5-7-16)9-15-13(17)10-14-8-11-2-3-11;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H
InChIKeyNNQMFBUWXKRQCD-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.29
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride (PubChem CID 119866901) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
PubChem CID119866901
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
SMILESCN1CCC(CNC(=O)CNCC2CC2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-16-6-4-12(5-7-16)9-15-13(17)10-14-8-11-2-3-11;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H
InChIKeyNNQMFBUWXKRQCD-UHFFFAOYSA-N
XLogP1.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
CID 119849545
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605397
N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627369
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
CID 117234638

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride (CID 119866901) is 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride is CN1CCC(CNC(=O)CNCC2CC2)CC1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride?
The InChIKey is NNQMFBUWXKRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-16-6-4-12(5-7-16)9-15-13(17)10-14-8-11-2-3-11;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119866901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).