1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide

C19H27N3O3 — CID 72888816

IUPAC1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1noc2c1CCCC2)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H27N3O3/c1-21(12-16-15-4-2-3-5-17(15)25-20-16)18(23)14-8-10-22(11-9-14)19(24)13-6-7-13/h13-14H,2-12H2,1H3
InChIKeyZTSNHSBUFSTFNG-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.16
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 72888816) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide
PubChem CID72888816
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1noc2c1CCCC2)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H27N3O3/c1-21(12-16-15-4-2-3-5-17(15)25-20-16)18(23)14-8-10-22(11-9-14)19(24)13-6-7-13/h13-14H,2-12H2,1H3
InChIKeyZTSNHSBUFSTFNG-UHFFFAOYSA-N
XLogP2.16
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide (CID 72888816) is 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide is CN(Cc1noc2c1CCCC2)C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZTSNHSBUFSTFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-21(12-16-15-4-2-3-5-17(15)25-20-16)18(23)14-8-10-22(11-9-14)19(24)13-6-7-13/h13-14H,2-12H2,1H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72888816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).