(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide

C25H36N4O3 — CID 26012258

IUPAC(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](C(=O)Nc3ccccc3)C1)C2=O
InChIInChI=1S/C25H36N4O3/c1-24(2,3)19-11-13-25(14-12-19)22(31)29(23(32)27-25)17-28-15-7-8-18(16-28)21(30)26-20-9-5-4-6-10-20/h4-6,9-10,18-19H,7-8,11-17H2,1-3H3,(H,26,30)(H,27,32)/t18-,19?,25?/m1/s1
InChIKeyLYMFEOTYEZFKAH-VLNJMECTSA-N
MW440.59 g/mol
LogP3.82
Rot. Bonds4

About (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide

(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 26012258) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide
PubChem CID26012258
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](C(=O)Nc3ccccc3)C1)C2=O
InChIInChI=1S/C25H36N4O3/c1-24(2,3)19-11-13-25(14-12-19)22(31)29(23(32)27-25)17-28-15-7-8-18(16-28)21(30)26-20-9-5-4-6-10-20/h4-6,9-10,18-19H,7-8,11-17H2,1-3H3,(H,26,30)(H,27,32)/t18-,19?,25?/m1/s1
InChIKeyLYMFEOTYEZFKAH-VLNJMECTSA-N
XLogP3.82
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
1-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 31732135
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30753476
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 22110194
(3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 98751351
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
(3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 52518493
1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55970040
1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325816
N-benzyl-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 33100935
tert-butyl 4-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate
CID 35920548

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide (CID 26012258) is (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](C(=O)Nc3ccccc3)C1)C2=O.
What is the InChIKey of (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is LYMFEOTYEZFKAH-VLNJMECTSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-24(2,3)19-11-13-25(14-12-19)22(31)29(23(32)27-25)17-28-15-7-8-18(16-28)21(30)26-20-9-5-4-6-10-20/h4-6,9-10,18-19H,7-8,11-17H2,1-3H3,(H,26,30)(H,27,32)/t18-,19?,25?/m1/s1.
What are the key properties of (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 26012258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).