N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide

C20H33N3O3 — CID 86972547

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H33N3O3/c1-20(2,3)18-16(6-4-13-26-18)14-21-19(24)23-10-8-22(9-11-23)15-17-7-5-12-25-17/h5,7,12,16,18H,4,6,8-11,13-15H2,1-3H3,(H,21,24)
InChIKeyBFSPQJVENQMYIQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.95
Rot. Bonds4

About N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide

N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 86972547) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID86972547
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H33N3O3/c1-20(2,3)18-16(6-4-13-26-18)14-21-19(24)23-10-8-22(9-11-23)15-17-7-5-12-25-17/h5,7,12,16,18H,4,6,8-11,13-15H2,1-3H3,(H,21,24)
InChIKeyBFSPQJVENQMYIQ-UHFFFAOYSA-N
XLogP2.95
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53498467
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 99830316
N-(2-tert-butylsulfanylethyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86884757
1-[(2-tert-butyloxan-3-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 111624294
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 86971621
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124857687
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 166196809
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 86972547) is N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide is CC(C)(C)C1OCCCC1CNC(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is BFSPQJVENQMYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-20(2,3)18-16(6-4-13-26-18)14-21-19(24)23-10-8-22(9-11-23)15-17-7-5-12-25-17/h5,7,12,16,18H,4,6,8-11,13-15H2,1-3H3,(H,21,24).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86972547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).