cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide

C29H46N4O2 — CID 143912780

IUPACcyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
SMILESC1CC2(CCN1)CCNC2.C1CCCCC1.O=CN1CCC[C@H]1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H18N2O2.C8H16N2.C6H12/c18-10-17-9-3-6-14(17)15(19)16-13-8-7-11-4-1-2-5-12(11)13;1-4-9-5-2-8(1)3-6-10-7-8;1-2-4-6-5-3-1/h1-2,4-5,10,13-14H,3,6-9H2,(H,16,19);9-10H,1-7H2;1-6H2/t13?,14-;;/m0../s1
InChIKeyGUUXDJFKASEQEP-HNYZGNTBSA-N
MW482.71 g/mol
LogP4.10
Rot. Bonds3

About cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide

cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide (PubChem CID 143912780) has the molecular formula C29H46N4O2 and a molecular weight of 482.71 g/mol. Its IUPAC name is cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Namecyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
PubChem CID143912780
Molecular FormulaC29H46N4O2
Molecular Weight482.71 g/mol
Exact Mass482.36
IUPAC Namecyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
SMILESC1CC2(CCN1)CCNC2.C1CCCCC1.O=CN1CCC[C@H]1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H18N2O2.C8H16N2.C6H12/c18-10-17-9-3-6-14(17)15(19)16-13-8-7-11-4-1-2-5-12(11)13;1-4-9-5-2-8(1)3-6-10-7-8;1-2-4-6-5-3-1/h1-2,4-5,10,13-14H,3,6-9H2,(H,16,19);9-10H,1-7H2;1-6H2/t13?,14-;;/m0../s1
InChIKeyGUUXDJFKASEQEP-HNYZGNTBSA-N
XLogP4.10
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.71
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
CID 143912781
(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
CID 140568127
N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 44599520
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55929659
(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 124726712
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-4-ylacetamide
CID 54910439
N-(2,3-dihydro-1H-inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619174
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62318149

Frequently Asked Questions

What is the IUPAC name of cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide?
The IUPAC name of cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide (CID 143912780) is cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide.
What is the SMILES notation for cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide?
The canonical SMILES for cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide is C1CC2(CCN1)CCNC2.C1CCCCC1.O=CN1CCC[C@H]1C(=O)NC1CCc2ccccc21.
What is the InChIKey of cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide?
The InChIKey is GUUXDJFKASEQEP-HNYZGNTBSA-N. The full InChI is InChI=1S/C15H18N2O2.C8H16N2.C6H12/c18-10-17-9-3-6-14(17)15(19)16-13-8-7-11-4-1-2-5-12(11)13;1-4-9-5-2-8(1)3-6-10-7-8;1-2-4-6-5-3-1/h1-2,4-5,10,13-14H,3,6-9H2,(H,16,19);9-10H,1-7H2;1-6H2/t13?,14-;;/m0../s1.
What are the key properties of cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide?
cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide has a molecular weight of 482.71 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143912780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).