N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide

C12H21N5O — CID 55248610

IUPACN-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCCC1CCCNC1
InChIInChI=1S/C12H21N5O/c18-12(4-8-17-9-7-15-16-17)14-6-3-11-2-1-5-13-10-11/h7,9,11,13H,1-6,8,10H2,(H,14,18)
InChIKeyROUDDHKIHITUAX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.17
Rot. Bonds6

About N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide

N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide (PubChem CID 55248610) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide
PubChem CID55248610
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCCC1CCCNC1
InChIInChI=1S/C12H21N5O/c18-12(4-8-17-9-7-15-16-17)14-6-3-11-2-1-5-13-10-11/h7,9,11,13H,1-6,8,10H2,(H,14,18)
InChIKeyROUDDHKIHITUAX-UHFFFAOYSA-N
XLogP0.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

1-cyclopentyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]-3-piperidinecarboxamide
CID 72876563
(3R*,5S*)-5-(pyrrolidin-1-ylcarbonyl)-N-[3-(1H-1,2,3-triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72840780
1-methyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 91797106
(1S)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 124616491
tert-butyl (2R,3R)-2-methyl-3-[2-(triazol-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 132305461
2-[(3R)-oxan-3-yl]-N-[3-(triazol-1-yl)propyl]acetamide
CID 164633926
N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908989
N-[3-(triazol-1-yl)propyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908990
N-[(3R,6R)-1-[3-(triazol-1-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345733
N-[(3R,6S)-1-[3-(triazol-1-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345734
N-[(3S,6S)-1-[3-(triazol-1-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345735
N-[(3S,6R)-1-[3-(triazol-1-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345736

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide (CID 55248610) is N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NCCC1CCCNC1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is ROUDDHKIHITUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c18-12(4-8-17-9-7-15-16-17)14-6-3-11-2-1-5-13-10-11/h7,9,11,13H,1-6,8,10H2,(H,14,18).
What are the key properties of N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide?
N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 55248610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).