1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H33N5O3 — CID 51960862

IUPAC1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(CN3C(=O)NC4(C3=O)[C@H](C)CCC[C@H]4C)CC2)n1
InChIInChI=1S/C23H33N5O3/c1-15-6-4-7-16(2)23(15)21(30)28(22(31)26-23)14-27-12-10-18(11-13-27)20(29)25-19-9-5-8-17(3)24-19/h5,8-9,15-16,18H,4,6-7,10-14H2,1-3H3,(H,26,31)(H,24,25,29)/t15-,16-/m1/s1
InChIKeyYYGPCWIFYJFTGJ-HZPDHXFCSA-N
MW427.55 g/mol
LogP2.74
Rot. Bonds4

About 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 51960862) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID51960862
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(CN3C(=O)NC4(C3=O)[C@H](C)CCC[C@H]4C)CC2)n1
InChIInChI=1S/C23H33N5O3/c1-15-6-4-7-16(2)23(15)21(30)28(22(31)26-23)14-27-12-10-18(11-13-27)20(29)25-19-9-5-8-17(3)24-19/h5,8-9,15-16,18H,4,6-7,10-14H2,1-3H3,(H,26,31)(H,24,25,29)/t15-,16-/m1/s1
InChIKeyYYGPCWIFYJFTGJ-HZPDHXFCSA-N
XLogP2.74
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

(3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51960930
(3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 98751351
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 47056927
1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 51107046
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 43185838
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46567158
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-4-carboxamide
CID 94821290
1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325816
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485

Frequently Asked Questions

What is the IUPAC name of 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 51960862) is 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(CN3C(=O)NC4(C3=O)[C@H](C)CCC[C@H]4C)CC2)n1.
What is the InChIKey of 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is YYGPCWIFYJFTGJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-15-6-4-7-16(2)23(15)21(30)28(22(31)26-23)14-27-12-10-18(11-13-27)20(29)25-19-9-5-8-17(3)24-19/h5,8-9,15-16,18H,4,6-7,10-14H2,1-3H3,(H,26,31)(H,24,25,29)/t15-,16-/m1/s1.
What are the key properties of 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 51960862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).