(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione

C17H27N5O2 — CID 97084059

IUPAC(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(CCn3cccn3)C2)C1=O
InChIInChI=1S/C17H27N5O2/c1-13(2)22-15(23)17(3,19-16(22)24)14-6-4-8-20(12-14)10-11-21-9-5-7-18-21/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,19,24)/t14-,17-/m0/s1
InChIKeyVTPWZTWYMBXGRH-YOEHRIQHSA-N
MW333.44 g/mol
LogP1.31
Rot. Bonds5

About (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione

(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 97084059) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID97084059
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(CCn3cccn3)C2)C1=O
InChIInChI=1S/C17H27N5O2/c1-13(2)22-15(23)17(3,19-16(22)24)14-6-4-8-20(12-14)10-11-21-9-5-7-18-21/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,19,24)/t14-,17-/m0/s1
InChIKeyVTPWZTWYMBXGRH-YOEHRIQHSA-N
XLogP1.31
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97084063
(5S)-5-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 129490445
(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97084075
2-[3-(4-methyl-2,5-dioxo-1-propan-2-ylimidazolidin-4-yl)piperidin-1-yl]acetamide
CID 71927194
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64885382
5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927218
(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217642
(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090037
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090041
N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 119928529

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione (CID 97084059) is (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione is CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(CCn3cccn3)C2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is VTPWZTWYMBXGRH-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(2)22-15(23)17(3,19-16(22)24)14-6-4-8-20(12-14)10-11-21-9-5-7-18-21/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,19,24)/t14-,17-/m0/s1.
What are the key properties of (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 333.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 97084059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).