N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride

C13H24ClN5O — CID 119823537

IUPACN-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride
SMILESCCCN(C(=O)CCn1ccnn1)C1CCNCC1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-2-9-18(12-3-6-14-7-4-12)13(19)5-10-17-11-8-15-16-17;/h8,11-12,14H,2-7,9-10H2,1H3;1H
InChIKeyWQAKOVNGSDGOBX-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.08
Rot. Bonds6

About N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride

N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride (PubChem CID 119823537) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride
PubChem CID119823537
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC NameN-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride
SMILESCCCN(C(=O)CCn1ccnn1)C1CCNCC1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-2-9-18(12-3-6-14-7-4-12)13(19)5-10-17-11-8-15-16-17;/h8,11-12,14H,2-7,9-10H2,1H3;1H
InChIKeyWQAKOVNGSDGOBX-UHFFFAOYSA-N
XLogP1.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119530274
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide
CID 66182453
N-methyl-N-piperidin-3-yl-3-(triazol-1-yl)propanamide
CID 63643344
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823671
N-piperidin-4-yl-N-propyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119823231
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824718
N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride
CID 119824316
3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
CID 54895477

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride (CID 119823537) is N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride is CCCN(C(=O)CCn1ccnn1)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride?
The InChIKey is WQAKOVNGSDGOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.ClH/c1-2-9-18(12-3-6-14-7-4-12)13(19)5-10-17-11-8-15-16-17;/h8,11-12,14H,2-7,9-10H2,1H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride?
N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119823537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).