N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide

C13H23N5O2 — CID 120889885

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide
SMILESCOCC1(CNC(=O)CCn2ccnn2)CCNCC1
InChIInChI=1S/C13H23N5O2/c1-20-11-13(3-5-14-6-4-13)10-15-12(19)2-8-18-9-7-16-17-18/h7,9,14H,2-6,8,10-11H2,1H3,(H,15,19)
InChIKeyDLZCVDWEQJGAKV-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.20
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide (PubChem CID 120889885) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide
PubChem CID120889885
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide
SMILESCOCC1(CNC(=O)CCn2ccnn2)CCNCC1
InChIInChI=1S/C13H23N5O2/c1-20-11-13(3-5-14-6-4-13)10-15-12(19)2-8-18-9-7-16-17-18/h7,9,14H,2-6,8,10-11H2,1H3,(H,15,19)
InChIKeyDLZCVDWEQJGAKV-UHFFFAOYSA-N
XLogP-0.20
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120891919
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
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
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 120887565
4-[[3-(triazol-1-yl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 115438215
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 120888945
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
CID 120887674

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide (CID 120889885) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide is COCC1(CNC(=O)CCn2ccnn2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide?
The InChIKey is DLZCVDWEQJGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-20-11-13(3-5-14-6-4-13)10-15-12(19)2-8-18-9-7-16-17-18/h7,9,14H,2-6,8,10-11H2,1H3,(H,15,19).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 120889885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).