N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide

C18H25N5O — CID 45233013

IUPACN-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C18H25N5O/c24-18(13-23-15-19-14-20-23)21-17-9-5-11-22(12-17)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,14-15,17H,4-5,8-13H2,(H,21,24)
InChIKeyITJBJKUKYPYOAR-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.49
Rot. Bonds7

About N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide

N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 45233013) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID45233013
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C18H25N5O/c24-18(13-23-15-19-14-20-23)21-17-9-5-11-22(12-17)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,14-15,17H,4-5,8-13H2,(H,21,24)
InChIKeyITJBJKUKYPYOAR-UHFFFAOYSA-N
XLogP1.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42453249
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
N-[(3S)-1-benzylpiperidin-3-yl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 126442251
N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26397825
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 42593936
2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42457135
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 45233013) is N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NC1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is ITJBJKUKYPYOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-18(13-23-15-19-14-20-23)21-17-9-5-11-22(12-17)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,14-15,17H,4-5,8-13H2,(H,21,24).
What are the key properties of N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 45233013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).