methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate

C19H25N3O3 — CID 66905434

IUPACmethyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1ccc2oc(N3CCC(N4CCCCC4)CC3)nc2c1
InChIInChI=1S/C19H25N3O3/c1-24-18(23)14-5-6-17-16(13-14)20-19(25-17)22-11-7-15(8-12-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3
InChIKeyQWRQHYPWBSMWKY-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.07
Rot. Bonds3

About methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate

methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate (PubChem CID 66905434) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate
PubChem CID66905434
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1ccc2oc(N3CCC(N4CCCCC4)CC3)nc2c1
InChIInChI=1S/C19H25N3O3/c1-24-18(23)14-5-6-17-16(13-14)20-19(25-17)22-11-7-15(8-12-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3
InChIKeyQWRQHYPWBSMWKY-UHFFFAOYSA-N
XLogP3.07
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyrrolidin-1-yl-1,3-benzoxazol-5-yl)ethanone
CID 83894123
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
CID 46244801
2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116690887
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-3-carboxylic acid;dihydrochloride
CID 154895890
methyl 2-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-4-carbonyl]amino]acetate
CID 26324181
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 25457999
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 25457994
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 45181110
methyl 3-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-4-carbonyl]amino]propanoate
CID 42311490
2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide
CID 135148582
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate?
The IUPAC name of methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate (CID 66905434) is methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate is COC(=O)c1ccc2oc(N3CCC(N4CCCCC4)CC3)nc2c1.
What is the InChIKey of methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate?
The InChIKey is QWRQHYPWBSMWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-18(23)14-5-6-17-16(13-14)20-19(25-17)22-11-7-15(8-12-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3.
What are the key properties of methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate?
methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 66905434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).