6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide

C25H35N5O3 — CID 131670205

IUPAC6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(NCc2ccccc2)C2(CC(C(=O)N3CCCC3)=NO2)C1
InChIInChI=1S/C25H35N5O3/c31-23(29-13-6-7-14-29)21-16-25(33-28-21)18-30(24(32)27-20-10-4-5-11-20)15-12-22(25)26-17-19-8-2-1-3-9-19/h1-3,8-9,20,22,26H,4-7,10-18H2,(H,27,32)
InChIKeyOUFZGYUGCHMWQM-UHFFFAOYSA-N
MW453.59 g/mol
LogP2.64
Rot. Bonds5

About 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide

6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide (PubChem CID 131670205) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide
PubChem CID131670205
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(NCc2ccccc2)C2(CC(C(=O)N3CCCC3)=NO2)C1
InChIInChI=1S/C25H35N5O3/c31-23(29-13-6-7-14-29)21-16-25(33-28-21)18-30(24(32)27-20-10-4-5-11-20)15-12-22(25)26-17-19-8-2-1-3-9-19/h1-3,8-9,20,22,26H,4-7,10-18H2,(H,27,32)
InChIKeyOUFZGYUGCHMWQM-UHFFFAOYSA-N
XLogP2.64
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
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(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
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(1S,5S,7R)-3-benzyl-N-cyclopentyl-4,4-dioxo-11-oxa-4λ6-thia-3,9-diazatricyclo[5.3.1.01,5]undecane-9-carboxamide
CID 155902648
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CID 7435336
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
(3aR,7aR)-2-benzyl-N-cyclohexyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 146068560
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide?
The IUPAC name of 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide (CID 131670205) is 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide is O=C(NC1CCCC1)N1CCC(NCc2ccccc2)C2(CC(C(=O)N3CCCC3)=NO2)C1.
What is the InChIKey of 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide?
The InChIKey is OUFZGYUGCHMWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c31-23(29-13-6-7-14-29)21-16-25(33-28-21)18-30(24(32)27-20-10-4-5-11-20)15-12-22(25)26-17-19-8-2-1-3-9-19/h1-3,8-9,20,22,26H,4-7,10-18H2,(H,27,32).
What are the key properties of 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide?
6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-cyclopentyl-3-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide is sourced from PubChem (CID 131670205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).