4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide

C22H26N2O3S — CID 45216516

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1cccs1
InChIInChI=1S/C22H26N2O3S/c1-15(20-3-2-14-28-20)23-21(25)16-6-8-18(9-7-16)27-19-10-12-24(13-11-19)22(26)17-4-5-17/h2-3,6-9,14-15,17,19H,4-5,10-13H2,1H3,(H,23,25)
InChIKeyQIZJMRJBEZKGRI-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.02
Rot. Bonds6

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 45216516) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID45216516
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1cccs1
InChIInChI=1S/C22H26N2O3S/c1-15(20-3-2-14-28-20)23-21(25)16-6-8-18(9-7-16)27-19-10-12-24(13-11-19)22(26)17-4-5-17/h2-3,6-9,14-15,17,19H,4-5,10-13H2,1H3,(H,23,25)
InChIKeyQIZJMRJBEZKGRI-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide
CID 42305765
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
CID 33498882
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-(2-amino-2-oxoethoxy)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110988

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide (CID 45216516) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1cccs1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is QIZJMRJBEZKGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-15(20-3-2-14-28-20)23-21(25)16-6-8-18(9-7-16)27-19-10-12-24(13-11-19)22(26)17-4-5-17/h2-3,6-9,14-15,17,19H,4-5,10-13H2,1H3,(H,23,25).
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 398.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 45216516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).