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

C21H29N5O3 — CID 51960930

IUPAC(3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(CN3C(=O)NC4(CCCCC4)C3=O)C2)n1
InChIInChI=1S/C21H29N5O3/c1-15-7-5-9-17(22-15)23-18(27)16-8-6-12-25(13-16)14-26-19(28)21(24-20(26)29)10-3-2-4-11-21/h5,7,9,16H,2-4,6,8,10-14H2,1H3,(H,24,29)(H,22,23,27)/t16-/m1/s1
InChIKeyCNYBXSPCJCLTSM-MRXNPFEDSA-N
MW399.50 g/mol
LogP2.25
Rot. Bonds4

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

(3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 51960930) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID51960930
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name(3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(CN3C(=O)NC4(CCCCC4)C3=O)C2)n1
InChIInChI=1S/C21H29N5O3/c1-15-7-5-9-17(22-15)23-18(27)16-8-6-12-25(13-16)14-26-19(28)21(24-20(26)29)10-3-2-4-11-21/h5,7,9,16H,2-4,6,8,10-14H2,1H3,(H,24,29)(H,22,23,27)/t16-/m1/s1
InChIKeyCNYBXSPCJCLTSM-MRXNPFEDSA-N
XLogP2.25
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.25
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

(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-[[(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
(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 26012258
1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813690
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60522958
(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94535153

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 51960930) is (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN(CN3C(=O)NC4(CCCCC4)C3=O)C2)n1.
What is the InChIKey of (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is CNYBXSPCJCLTSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15-7-5-9-17(22-15)23-18(27)16-8-6-12-25(13-16)14-26-19(28)21(24-20(26)29)10-3-2-4-11-21/h5,7,9,16H,2-4,6,8,10-14H2,1H3,(H,24,29)(H,22,23,27)/t16-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 51960930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).