4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide

C23H33N5O3 — CID 55746729

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCC1CCN(c2ccc(CNC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cn2)CC1
InChIInChI=1S/C23H33N5O3/c1-17-8-13-27(14-9-17)19-7-6-18(15-24-19)16-25-20(29)5-4-12-28-21(30)23(26-22(28)31)10-2-3-11-23/h6-7,15,17H,2-5,8-14,16H2,1H3,(H,25,29)(H,26,31)
InChIKeyDTNDICSTGBYYRU-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.58
Rot. Bonds7

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide (PubChem CID 55746729) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
PubChem CID55746729
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCC1CCN(c2ccc(CNC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cn2)CC1
InChIInChI=1S/C23H33N5O3/c1-17-8-13-27(14-9-17)19-7-6-18(15-24-19)16-25-20(29)5-4-12-28-21(30)23(26-22(28)31)10-2-3-11-23/h6-7,15,17H,2-5,8-14,16H2,1H3,(H,25,29)(H,26,31)
InChIKeyDTNDICSTGBYYRU-UHFFFAOYSA-N
XLogP2.58
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55749706
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 55714060
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 55747104
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119846231
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041648
2-[(1R)-cyclopent-2-en-1-yl]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94783206
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
2-cyclopent-2-en-1-yl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47043291
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide (CID 55746729) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide is CC1CCN(c2ccc(CNC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cn2)CC1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The InChIKey is DTNDICSTGBYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-17-8-13-27(14-9-17)19-7-6-18(15-24-19)16-25-20(29)5-4-12-28-21(30)23(26-22(28)31)10-2-3-11-23/h6-7,15,17H,2-5,8-14,16H2,1H3,(H,25,29)(H,26,31).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide has a molecular weight of 427.55 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 55746729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).