[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

C20H29N7O — CID 70717153

IUPAC[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cn(CCC2CCCCN2)nn1)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C20H29N7O/c28-20(18-15-27(25-24-18)14-9-16-5-1-3-10-21-16)26-12-7-17(8-13-26)23-19-6-2-4-11-22-19/h2,4,6,11,15-17,21H,1,3,5,7-10,12-14H2,(H,22,23)
InChIKeyFTVXRONJEVBQQE-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.92
Rot. Bonds6

About [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (PubChem CID 70717153) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
PubChem CID70717153
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cn(CCC2CCCCN2)nn1)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C20H29N7O/c28-20(18-15-27(25-24-18)14-9-16-5-1-3-10-21-16)26-12-7-17(8-13-26)23-19-6-2-4-11-22-19/h2,4,6,11,15-17,21H,1,3,5,7-10,12-14H2,(H,22,23)
InChIKeyFTVXRONJEVBQQE-UHFFFAOYSA-N
XLogP1.92
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 96579039
6-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 70786975
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
[4-(pyridin-2-ylamino)piperidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)methanone
CID 56895447
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride
CID 171710821
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
1-(2-piperidin-2-ylethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70727559
3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid
CID 134069519
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70744158
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone
CID 138051926

Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (CID 70717153) is [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is O=C(c1cn(CCC2CCCCN2)nn1)N1CCC(Nc2ccccn2)CC1.
What is the InChIKey of [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is FTVXRONJEVBQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c28-20(18-15-27(25-24-18)14-9-16-5-1-3-10-21-16)26-12-7-17(8-13-26)23-19-6-2-4-11-22-19/h2,4,6,11,15-17,21H,1,3,5,7-10,12-14H2,(H,22,23).
What are the key properties of [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 70717153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).