N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride

C14H26Cl2N4O2 — CID 120891919

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCOCC1(CNC(=O)CCn2cccn2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H24N4O2.2ClH/c1-20-12-14(4-7-15-8-5-14)11-16-13(19)3-10-18-9-2-6-17-18;;/h2,6,9,15H,3-5,7-8,10-12H2,1H3,(H,16,19);2*1H
InChIKeyLKSJZTRTWDMUBJ-UHFFFAOYSA-N
MW353.29 g/mol
LogP1.25
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 120891919) has the molecular formula C14H26Cl2N4O2 and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID120891919
Molecular FormulaC14H26Cl2N4O2
Molecular Weight353.29 g/mol
Exact Mass352.14
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCOCC1(CNC(=O)CCn2cccn2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H24N4O2.2ClH/c1-20-12-14(4-7-15-8-5-14)11-16-13(19)3-10-18-9-2-6-17-18;;/h2,6,9,15H,3-5,7-8,10-12H2,1H3,(H,16,19);2*1H
InChIKeyLKSJZTRTWDMUBJ-UHFFFAOYSA-N
XLogP1.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide
CID 120889885
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
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2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 120887565
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride
CID 120891633
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 120889437
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120891250

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride (CID 120891919) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride is COCC1(CNC(=O)CCn2cccn2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is LKSJZTRTWDMUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.2ClH/c1-20-12-14(4-7-15-8-5-14)11-16-13(19)3-10-18-9-2-6-17-18;;/h2,6,9,15H,3-5,7-8,10-12H2,1H3,(H,16,19);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 353.29 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 120891919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).