5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide

C20H24N2O4 — CID 126452673

IUPAC5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCCCO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)C1
InChIInChI=1S/C20H24N2O4/c1-2-12-25-16-4-3-11-22(13-16)20(24)15-7-5-14(6-8-15)17-9-10-18(26-17)19(21)23/h5-10,16H,2-4,11-13H2,1H3,(H2,21,23)/t16-/m0/s1
InChIKeyYGTWPVQWCLLACE-INIZCTEOSA-N
MW356.42 g/mol
LogP3.08
Rot. Bonds6

About 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide

5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 126452673) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID126452673
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCCCO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)C1
InChIInChI=1S/C20H24N2O4/c1-2-12-25-16-4-3-11-22(13-16)20(24)15-7-5-14(6-8-15)17-9-10-18(26-17)19(21)23/h5-10,16H,2-4,11-13H2,1H3,(H2,21,23)/t16-/m0/s1
InChIKeyYGTWPVQWCLLACE-INIZCTEOSA-N
XLogP3.08
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 126449690
[4-(1-methylindazol-5-yl)phenyl]-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 126449691
2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
CID 42306322
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844207

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 126452673) is 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide is CCCO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)C1.
What is the InChIKey of 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is YGTWPVQWCLLACE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-12-25-16-4-3-11-22(13-16)20(24)15-7-5-14(6-8-15)17-9-10-18(26-17)19(21)23/h5-10,16H,2-4,11-13H2,1H3,(H2,21,23)/t16-/m0/s1.
What are the key properties of 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide?
5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 126452673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).