(3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C23H24F3N5O3 — CID 98751351

IUPAC(3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(CN3C(=O)N[C@@](c4ccccc4)(C(F)(F)F)C3=O)C2)n1
InChIInChI=1S/C23H24F3N5O3/c1-15-7-5-11-18(27-15)28-19(32)16-8-6-12-30(13-16)14-31-20(33)22(23(24,25)26,29-21(31)34)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,29,34)(H,27,28,32)/t16-,22+/m0/s1
InChIKeyOCEOSVMMVZINGH-KSFYIVLOSA-N
MW475.47 g/mol
LogP3.01
Rot. Bonds5

About (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

(3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 98751351) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID98751351
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name(3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(CN3C(=O)N[C@@](c4ccccc4)(C(F)(F)F)C3=O)C2)n1
InChIInChI=1S/C23H24F3N5O3/c1-15-7-5-11-18(27-15)28-19(32)16-8-6-12-30(13-16)14-31-20(33)22(23(24,25)26,29-21(31)34)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,29,34)(H,27,28,32)/t16-,22+/m0/s1
InChIKeyOCEOSVMMVZINGH-KSFYIVLOSA-N
XLogP3.01
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.01
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

(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-[[(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)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
(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
(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94535153
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 87008642
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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 98751351) is (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@H]2CCCN(CN3C(=O)N[C@@](c4ccccc4)(C(F)(F)F)C3=O)C2)n1.
What is the InChIKey of (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is OCEOSVMMVZINGH-KSFYIVLOSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-15-7-5-11-18(27-15)28-19(32)16-8-6-12-30(13-16)14-31-20(33)22(23(24,25)26,29-21(31)34)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,29,34)(H,27,28,32)/t16-,22+/m0/s1.
What are the key properties of (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 98751351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).