N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide

C21H24N2O3S — CID 46443461

IUPACN-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cccc(OCc3cccs3)c2)CC1)C1CC1
InChIInChI=1S/C21H24N2O3S/c24-20(15-6-7-15)22-17-8-10-23(11-9-17)21(25)16-3-1-4-18(13-16)26-14-19-5-2-12-27-19/h1-5,12-13,15,17H,6-11,14H2,(H,22,24)
InChIKeyLRTIXNCXWZVKSQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.46
Rot. Bonds6

About N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46443461) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46443461
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cccc(OCc3cccs3)c2)CC1)C1CC1
InChIInChI=1S/C21H24N2O3S/c24-20(15-6-7-15)22-17-8-10-23(11-9-17)21(25)16-3-1-4-18(13-16)26-14-19-5-2-12-27-19/h1-5,12-13,15,17H,6-11,14H2,(H,22,24)
InChIKeyLRTIXNCXWZVKSQ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 122135504
(3S)-1-[3-(thiophen-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124703583
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 39896443
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927512
(3S,4S)-4-methyl-1-[3-(thiophen-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953537
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
CID 39144071
N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554216
1-[(3R)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92900742
2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 29105768
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide (CID 46443461) is N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2cccc(OCc3cccs3)c2)CC1)C1CC1.
What is the InChIKey of N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is LRTIXNCXWZVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-20(15-6-7-15)22-17-8-10-23(11-9-17)21(25)16-3-1-4-18(13-16)26-14-19-5-2-12-27-19/h1-5,12-13,15,17H,6-11,14H2,(H,22,24).
What are the key properties of N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46443461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).