N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide

C23H30N2O5 — CID 38211238

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1OCCC
InChIInChI=1S/C23H30N2O5/c1-3-12-29-20-6-5-17(15-21(20)30-13-4-2)22(26)24-19-7-10-25(11-8-19)23(27)18-9-14-28-16-18/h5-6,9,14-16,19H,3-4,7-8,10-13H2,1-2H3,(H,24,26)
InChIKeyAGSTVYNWTKFCNQ-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.89
Rot. Bonds9

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide (PubChem CID 38211238) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
PubChem CID38211238
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1OCCC
InChIInChI=1S/C23H30N2O5/c1-3-12-29-20-6-5-17(15-21(20)30-13-4-2)22(26)24-19-7-10-25(11-8-19)23(27)18-9-14-28-16-18/h5-6,9,14-16,19H,3-4,7-8,10-13H2,1-2H3,(H,24,26)
InChIKeyAGSTVYNWTKFCNQ-UHFFFAOYSA-N
XLogP3.89
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide
CID 31398496
N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578028
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
CID 47882723
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 87053011
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide (CID 38211238) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1OCCC.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide?
The InChIKey is AGSTVYNWTKFCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-3-12-29-20-6-5-17(15-21(20)30-13-4-2)22(26)24-19-7-10-25(11-8-19)23(27)18-9-14-28-16-18/h5-6,9,14-16,19H,3-4,7-8,10-13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide has a molecular weight of 414.50 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide is sourced from PubChem (CID 38211238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).