N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C24H28N2O3S — CID 134075807

IUPACN-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESO=C(CC1CC2(CCN(C(=O)Cc3ccsc3)CC2)Oc2ccccc21)NC1CC1
InChIInChI=1S/C24H28N2O3S/c27-22(25-19-5-6-19)14-18-15-24(29-21-4-2-1-3-20(18)21)8-10-26(11-9-24)23(28)13-17-7-12-30-16-17/h1-4,7,12,16,18-19H,5-6,8-11,13-15H2,(H,25,27)
InChIKeyMSYACCVTWLGCJO-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.89
Rot. Bonds5

About N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 134075807) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID134075807
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESO=C(CC1CC2(CCN(C(=O)Cc3ccsc3)CC2)Oc2ccccc21)NC1CC1
InChIInChI=1S/C24H28N2O3S/c27-22(25-19-5-6-19)14-18-15-24(29-21-4-2-1-3-20(18)21)8-10-26(11-9-24)23(28)13-17-7-12-30-16-17/h1-4,7,12,16,18-19H,5-6,8-11,13-15H2,(H,25,27)
InChIKeyMSYACCVTWLGCJO-UHFFFAOYSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131661571
(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 97401154
N-cyclopropyl-2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131654273
N-cyclopropyl-2-[(4S)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97401157
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131644974
N-(1-benzylpiperidin-4-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide
CID 134073540
2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 134078602
N-cyclobutyl-2-[1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155833902
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155841808
2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 131659016
N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
CID 91919875
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one
CID 105127699

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 134075807) is N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is O=C(CC1CC2(CCN(C(=O)Cc3ccsc3)CC2)Oc2ccccc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is MSYACCVTWLGCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-22(25-19-5-6-19)14-18-15-24(29-21-4-2-1-3-20(18)21)8-10-26(11-9-24)23(28)13-17-7-12-30-16-17/h1-4,7,12,16,18-19H,5-6,8-11,13-15H2,(H,25,27).
What are the key properties of N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 424.57 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 134075807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).