N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide

C16H25N3O3 — CID 42955051

IUPACN-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H25N3O3/c1-12(14(20)17-16(2,3)4)18-6-8-19(9-7-18)15(21)13-5-10-22-11-13/h5,10-12H,6-9H2,1-4H3,(H,17,20)
InChIKeyACKWFHOPXDXBOF-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.34
Rot. Bonds3

About N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide

N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide (PubChem CID 42955051) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide
PubChem CID42955051
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H25N3O3/c1-12(14(20)17-16(2,3)4)18-6-8-19(9-7-18)15(21)13-5-10-22-11-13/h5,10-12H,6-9H2,1-4H3,(H,17,20)
InChIKeyACKWFHOPXDXBOF-UHFFFAOYSA-N
XLogP1.34
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34952537
N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 51244020
formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide
CID 154918994
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 86928371
2-[4-[1-(furan-3-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890852
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
furan-3-yl-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 134007167
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 22594028
tert-butyl N-[(2S)-1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 75384277

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide (CID 42955051) is N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide is CC(C(=O)NC(C)(C)C)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is ACKWFHOPXDXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(14(20)17-16(2,3)4)18-6-8-19(9-7-18)15(21)13-5-10-22-11-13/h5,10-12H,6-9H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide?
N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 42955051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).