[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C21H21N7O2 — CID 134503214

IUPAC[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1cnc(C(=O)N2CCCC(Nc3nc4ccccc4o3)C2)c(-n2nccn2)c1
InChIInChI=1S/C21H21N7O2/c1-14-11-17(28-23-8-9-24-28)19(22-12-14)20(29)27-10-4-5-15(13-27)25-21-26-16-6-2-3-7-18(16)30-21/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,26)
InChIKeyNQZCHPQBMQRDOM-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.83
Rot. Bonds4

About [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 134503214) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID134503214
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1cnc(C(=O)N2CCCC(Nc3nc4ccccc4o3)C2)c(-n2nccn2)c1
InChIInChI=1S/C21H21N7O2/c1-14-11-17(28-23-8-9-24-28)19(22-12-14)20(29)27-10-4-5-15(13-27)25-21-26-16-6-2-3-7-18(16)30-21/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,26)
InChIKeyNQZCHPQBMQRDOM-UHFFFAOYSA-N
XLogP2.83
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]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

[(3R)-3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 126746495
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone
CID 146075115
[(3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 154850271
[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134503247
tert-butyl (3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629265
[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503179
[5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 154856315
[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
CID 134503162
[4-methyl-2-(triazol-2-yl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 134503161
[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
CID 118320054
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90405506

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 134503214) is [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1cnc(C(=O)N2CCCC(Nc3nc4ccccc4o3)C2)c(-n2nccn2)c1.
What is the InChIKey of [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is NQZCHPQBMQRDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-14-11-17(28-23-8-9-24-28)19(22-12-14)20(29)27-10-4-5-15(13-27)25-21-26-16-6-2-3-7-18(16)30-21/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,26).
What are the key properties of [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 403.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 134503214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).