N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide

C20H21N3O3S — CID 9452134

IUPACN-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccco1
InChIInChI=1S/C20H21N3O3S/c24-18(9-10-21-19(25)16-7-4-12-26-16)23-11-3-5-14(13-23)20-22-15-6-1-2-8-17(15)27-20/h1-2,4,6-8,12,14H,3,5,9-11,13H2,(H,21,25)/t14-/m1/s1
InChIKeySQJNNTQQASYZSB-CQSZACIVSA-N
MW383.47 g/mol
LogP3.42
Rot. Bonds5

About N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide

N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 9452134) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
PubChem CID9452134
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccco1
InChIInChI=1S/C20H21N3O3S/c24-18(9-10-21-19(25)16-7-4-12-26-16)23-11-3-5-14(13-23)20-22-15-6-1-2-8-17(15)27-20/h1-2,4,6-8,12,14H,3,5,9-11,13H2,(H,21,25)/t14-/m1/s1
InChIKeySQJNNTQQASYZSB-CQSZACIVSA-N
XLogP3.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 39759523
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]pentane-1,4-dione
CID 9235219
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 9235840
[5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-oxopentyl]urea
CID 9224007
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-cyclohexylpropan-1-one
CID 9235881
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 9233059
(3S)-3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide
CID 41105453
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9224009
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 9489157
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 40804818
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94124003

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide (CID 9452134) is N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide is O=C(NCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccco1.
What is the InChIKey of N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is SQJNNTQQASYZSB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-18(9-10-21-19(25)16-7-4-12-26-16)23-11-3-5-14(13-23)20-22-15-6-1-2-8-17(15)27-20/h1-2,4,6-8,12,14H,3,5,9-11,13H2,(H,21,25)/t14-/m1/s1.
What are the key properties of N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 9452134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).