N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide

C12H21N5O — CID 106628118

IUPACN-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCCN(CC1CCCNC1)C(=O)c1ncn[nH]1
InChIInChI=1S/C12H21N5O/c1-2-6-17(8-10-4-3-5-13-7-10)12(18)11-14-9-15-16-11/h9-10,13H,2-8H2,1H3,(H,14,15,16)
InChIKeyCSMQPOBYSSVGBW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.66
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide

N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 106628118) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID106628118
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCCN(CC1CCCNC1)C(=O)c1ncn[nH]1
InChIInChI=1S/C12H21N5O/c1-2-6-17(8-10-4-3-5-13-7-10)12(18)11-14-9-15-16-11/h9-10,13H,2-8H2,1H3,(H,14,15,16)
InChIKeyCSMQPOBYSSVGBW-UHFFFAOYSA-N
XLogP0.66
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 106628456
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 106628202
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107016147
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide (CID 106628118) is N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide is CCCN(CC1CCCNC1)C(=O)c1ncn[nH]1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CSMQPOBYSSVGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-6-17(8-10-4-3-5-13-7-10)12(18)11-14-9-15-16-11/h9-10,13H,2-8H2,1H3,(H,14,15,16).
What are the key properties of N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide?
N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 106628118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).