N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide

C14H23N5O2 — CID 86863777

IUPACN,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide
SMILESCC1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1
InChIInChI=1S/C14H23N5O2/c1-11-5-4-7-18(8-6-11)14(21)12-9-19(16-15-12)10-13(20)17(2)3/h9,11H,4-8,10H2,1-3H3
InChIKeyDBTPEFIJXZCVEW-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.63
Rot. Bonds3

About N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide

N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide (PubChem CID 86863777) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide
PubChem CID86863777
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide
SMILESCC1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1
InChIInChI=1S/C14H23N5O2/c1-11-5-4-7-18(8-6-11)14(21)12-9-19(16-15-12)10-13(20)17(2)3/h9,11H,4-8,10H2,1-3H3
InChIKeyDBTPEFIJXZCVEW-UHFFFAOYSA-N
XLogP0.63
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]triazol-1-yl]acetamide
CID 75447448
N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide
CID 136578967
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289573
2-[4-(3-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288752
2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290626
2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289815
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289328
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290605
2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289817
[1-(2-aminoethyl)triazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495450

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide (CID 86863777) is N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide is CC1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide?
The InChIKey is DBTPEFIJXZCVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11-5-4-7-18(8-6-11)14(21)12-9-19(16-15-12)10-13(20)17(2)3/h9,11H,4-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide?
N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide is sourced from PubChem (CID 86863777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).