1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide

C16H25N5O2 — CID 75376817

IUPAC1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide
SMILESCC(CCn1cncn1)NC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H25N5O2/c1-12(6-8-21-11-17-10-18-21)19-15(22)14-3-2-7-20(9-14)16(23)13-4-5-13/h10-14H,2-9H2,1H3,(H,19,22)
InChIKeyBOYJTNNNLLPPRL-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.82
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide (PubChem CID 75376817) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide
PubChem CID75376817
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide
SMILESCC(CCn1cncn1)NC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H25N5O2/c1-12(6-8-21-11-17-10-18-21)19-15(22)14-3-2-7-20(9-14)16(23)13-4-5-13/h10-14H,2-9H2,1H3,(H,19,22)
InChIKeyBOYJTNNNLLPPRL-UHFFFAOYSA-N
XLogP0.82
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 60518298
1-(cyclopropanecarbonyl)-N-(1-hydroxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 79252734
1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42938651
1-(cyclopropanecarbonyl)-N-[1-(4-hydroxy-1-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide
CID 154846356
1-(cyclopropanecarbonyl)-N-(1-hydroxy-4-methylpentan-3-yl)piperidine-3-carboxamide
CID 103750955
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 47088084
1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
1-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 94528437

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide (CID 75376817) is 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide is CC(CCn1cncn1)NC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide?
The InChIKey is BOYJTNNNLLPPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(6-8-21-11-17-10-18-21)19-15(22)14-3-2-7-20(9-14)16(23)13-4-5-13/h10-14H,2-9H2,1H3,(H,19,22).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 75376817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).