N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide

C12H21N5O — CID 62045351

IUPACN-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1ccnn1)C1CCCNC1
InChIInChI=1S/C12H21N5O/c1-10(11-3-2-5-13-9-11)15-12(18)4-7-17-8-6-14-16-17/h6,8,10-11,13H,2-5,7,9H2,1H3,(H,15,18)
InChIKeyCEWKREBCCSMTQI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.17
Rot. Bonds5

About N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide

N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide (PubChem CID 62045351) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide
PubChem CID62045351
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1ccnn1)C1CCCNC1
InChIInChI=1S/C12H21N5O/c1-10(11-3-2-5-13-9-11)15-12(18)4-7-17-8-6-14-16-17/h6,8,10-11,13H,2-5,7,9H2,1H3,(H,15,18)
InChIKeyCEWKREBCCSMTQI-UHFFFAOYSA-N
XLogP0.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide (CID 62045351) is N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide is CC(NC(=O)CCn1ccnn1)C1CCCNC1.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is CEWKREBCCSMTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(11-3-2-5-13-9-11)15-12(18)4-7-17-8-6-14-16-17/h6,8,10-11,13H,2-5,7,9H2,1H3,(H,15,18).
What are the key properties of N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide?
N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 62045351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).