(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C24H33N3O3 — CID 97401154

IUPAC(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C(C[C@H]1CC2(CCN(C(=O)NC3CCCC3)CC2)Oc2ccccc21)NC1CC1
InChIInChI=1S/C24H33N3O3/c28-22(25-19-9-10-19)15-17-16-24(30-21-8-4-3-7-20(17)21)11-13-27(14-12-24)23(29)26-18-5-1-2-6-18/h3-4,7-8,17-19H,1-2,5-6,9-16H2,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyZKAPFSDHSYINDG-KRWDZBQOSA-N
MW411.55 g/mol
LogP3.71
Rot. Bonds4

About (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 97401154) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID97401154
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C(C[C@H]1CC2(CCN(C(=O)NC3CCCC3)CC2)Oc2ccccc21)NC1CC1
InChIInChI=1S/C24H33N3O3/c28-22(25-19-9-10-19)15-17-16-24(30-21-8-4-3-7-20(17)21)11-13-27(14-12-24)23(29)26-18-5-1-2-6-18/h3-4,7-8,17-19H,1-2,5-6,9-16H2,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyZKAPFSDHSYINDG-KRWDZBQOSA-N
XLogP3.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-[1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131661571
N-cyclopropyl-2-[(4S)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97401157
N-cyclopropyl-2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131654273
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131644974
N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 134075807
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155841808
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-(1-benzylpiperidin-4-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide
CID 134073540
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
N-butyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 131640102

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 97401154) is (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is O=C(C[C@H]1CC2(CCN(C(=O)NC3CCCC3)CC2)Oc2ccccc21)NC1CC1.
What is the InChIKey of (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is ZKAPFSDHSYINDG-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H33N3O3/c28-22(25-19-9-10-19)15-17-16-24(30-21-8-4-3-7-20(17)21)11-13-27(14-12-24)23(29)26-18-5-1-2-6-18/h3-4,7-8,17-19H,1-2,5-6,9-16H2,(H,25,28)(H,26,29)/t17-/m0/s1.
What are the key properties of (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 97401154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).