N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide

C21H24N2O3S — CID 163339679

IUPACN-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccccc1OCC1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C21H24N2O3S/c24-20(22-16-9-10-16)17-6-1-2-7-18(17)26-14-15-5-3-11-23(13-15)21(25)19-8-4-12-27-19/h1-2,4,6-8,12,15-16H,3,5,9-11,13-14H2,(H,22,24)
InChIKeyLGRPWRCSFZVMRI-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.57
Rot. Bonds6

About N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 163339679) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
PubChem CID163339679
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccccc1OCC1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C21H24N2O3S/c24-20(22-16-9-10-16)17-6-1-2-7-18(17)26-14-15-5-3-11-23(13-15)21(25)19-8-4-12-27-19/h1-2,4,6-8,12,15-16H,3,5,9-11,13-14H2,(H,22,24)
InChIKeyLGRPWRCSFZVMRI-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide
CID 91913506
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119398089
furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 163339996
[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110411541
2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide
CID 56883556
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
CID 42892598

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide (CID 163339679) is N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide is O=C(NC1CC1)c1ccccc1OCC1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is LGRPWRCSFZVMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-20(22-16-9-10-16)17-6-1-2-7-18(17)26-14-15-5-3-11-23(13-15)21(25)19-8-4-12-27-19/h1-2,4,6-8,12,15-16H,3,5,9-11,13-14H2,(H,22,24).
What are the key properties of N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 384.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 163339679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).