cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C29H40N4O2 — CID 142988082

IUPACcyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESNC(=O)C1CCCC1.O=C1N(Cc2cccnc2)CCC12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C23H29N3O.C6H11NO/c27-22-23(12-17-26(22)19-21-8-4-13-24-18-21)10-15-25(16-11-23)14-5-9-20-6-2-1-3-7-20;7-6(8)5-3-1-2-4-5/h1-4,6-8,13,18H,5,9-12,14-17,19H2;5H,1-4H2,(H2,7,8)
InChIKeyLLUAPUPXVGTSBY-UHFFFAOYSA-N
MW476.67 g/mol
LogP4.19
Rot. Bonds7

About cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 142988082) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Namecyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID142988082
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC Namecyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESNC(=O)C1CCCC1.O=C1N(Cc2cccnc2)CCC12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C23H29N3O.C6H11NO/c27-22-23(12-17-26(22)19-21-8-4-13-24-18-21)10-15-25(16-11-23)14-5-9-20-6-2-1-3-7-20;7-6(8)5-3-1-2-4-5/h1-4,6-8,13,18H,5,9-12,14-17,19H2;5H,1-4H2,(H2,7,8)
InChIKeyLLUAPUPXVGTSBY-UHFFFAOYSA-N
XLogP4.19
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 91578541
cyclopropanecarboxamide;ethane;hydroxy-[(1Z,3Z)-6-[1-oxo-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]hexa-1,3-dienyl]azanium
CID 142987916
N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide
CID 59999188
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
1'-(cyclohexanecarbonyl)-2-(pyridin-3-ylmethyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 131685769
N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide
CID 59999071
7-(cyclobutylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472901
8-[(1-methylimidazol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155827999
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25456250
2-ethyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 171697221
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 142988082) is cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is NC(=O)C1CCCC1.O=C1N(Cc2cccnc2)CCC12CCN(CCCc1ccccc1)CC2.
What is the InChIKey of cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is LLUAPUPXVGTSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O.C6H11NO/c27-22-23(12-17-26(22)19-21-8-4-13-24-18-21)10-15-25(16-11-23)14-5-9-20-6-2-1-3-7-20;7-6(8)5-3-1-2-4-5/h1-4,6-8,13,18H,5,9-12,14-17,19H2;5H,1-4H2,(H2,7,8).
What are the key properties of cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 476.67 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 142988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).