[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone

C18H23N3O2 — CID 3415222

IUPAC[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCCCC1
InChIInChI=1S/C18H23N3O2/c22-17(20-10-4-1-5-11-20)14-8-12-21(13-9-14)18-19-15-6-2-3-7-16(15)23-18/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyMGYXORVPHANPPB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.06
Rot. Bonds2

About [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 3415222) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID3415222
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCCCC1
InChIInChI=1S/C18H23N3O2/c22-17(20-10-4-1-5-11-20)14-8-12-21(13-9-14)18-19-15-6-2-3-7-16(15)23-18/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyMGYXORVPHANPPB-UHFFFAOYSA-N
XLogP3.06
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119173598
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
[4-(aminomethyl)piperidin-1-yl]-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 119423816
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 16590198
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124689347
[(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 95502907
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 16593927
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165435396
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 70769541
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 56873239

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 3415222) is [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCCCC1.
What is the InChIKey of [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MGYXORVPHANPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(20-10-4-1-5-11-20)14-8-12-21(13-9-14)18-19-15-6-2-3-7-16(15)23-18/h2-3,6-7,14H,1,4-5,8-13H2.
What are the key properties of [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3415222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).