N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide

C13H21N5O — CID 106627006

IUPACN-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C13H21N5O/c19-13(10-17-8-7-15-16-17)18(12-4-5-12)9-11-3-1-2-6-14-11/h7-8,11-12,14H,1-6,9-10H2
InChIKeySKUUUKZQMGOCIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.41
Rot. Bonds5

About N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide

N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide (PubChem CID 106627006) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
PubChem CID106627006
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C13H21N5O/c19-13(10-17-8-7-15-16-17)18(12-4-5-12)9-11-3-1-2-6-14-11/h7-8,11-12,14H,1-6,9-10H2
InChIKeySKUUUKZQMGOCIC-UHFFFAOYSA-N
XLogP0.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106611713
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
N-cyclopropyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106627075
2-[2-(triazol-1-yl)ethyl]azepane
CID 141161255
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
CID 98042437
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyridin-4-ylpropanamide
CID 106626977
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 106626774
N-cyclopropyl-2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626819
N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607976
N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 129401167
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide (CID 106627006) is N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is SKUUUKZQMGOCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13(10-17-8-7-15-16-17)18(12-4-5-12)9-11-3-1-2-6-14-11/h7-8,11-12,14H,1-6,9-10H2.
What are the key properties of N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 106627006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).