N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide

C14H21N5O2 — CID 118779682

IUPACN-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H21N5O2/c20-13(10-19-7-5-16-17-19)15-8-11-2-1-6-18(9-11)14(21)12-3-4-12/h5,7,11-12H,1-4,6,8-10H2,(H,15,20)
InChIKeyUJYWBHHHLAKZOF-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.04
Rot. Bonds5

About N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide

N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide (PubChem CID 118779682) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
PubChem CID118779682
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H21N5O2/c20-13(10-19-7-5-16-17-19)15-8-11-2-1-6-18(9-11)14(21)12-3-4-12/h5,7,11-12H,1-4,6,8-10H2,(H,15,20)
InChIKeyUJYWBHHHLAKZOF-UHFFFAOYSA-N
XLogP0.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 126453543
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 127417394
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634
N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71853667
3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 126434909
N-(cyclohexylmethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86908445

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide (CID 118779682) is N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is UJYWBHHHLAKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-13(10-19-7-5-16-17-19)15-8-11-2-1-6-18(9-11)14(21)12-3-4-12/h5,7,11-12H,1-4,6,8-10H2,(H,15,20).
What are the key properties of N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 118779682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).