8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H37N5O4 — CID 92620507

IUPAC8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H](C)N3CCCC3)CC1)C2=O
InChIInChI=1S/C23H37N5O4/c1-16(2)19(29)27-14-8-23(9-15-27)21(31)28(22(32)24-23)18-6-12-26(13-7-18)20(30)17(3)25-10-4-5-11-25/h16-18H,4-15H2,1-3H3,(H,24,32)/t17-/m1/s1
InChIKeyGCQMXYNIMBGZJO-QGZVFWFLSA-N
MW447.58 g/mol
LogP1.03
Rot. Bonds4

About 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 92620507) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID92620507
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC Name8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H](C)N3CCCC3)CC1)C2=O
InChIInChI=1S/C23H37N5O4/c1-16(2)19(29)27-14-8-23(9-15-27)21(31)28(22(32)24-23)18-6-12-26(13-7-18)20(30)17(3)25-10-4-5-11-25/h16-18H,4-15H2,1-3H3,(H,24,32)/t17-/m1/s1
InChIKeyGCQMXYNIMBGZJO-QGZVFWFLSA-N
XLogP1.03
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 92620507) is 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H](C)N3CCCC3)CC1)C2=O.
What is the InChIKey of 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GCQMXYNIMBGZJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-16(2)19(29)27-14-8-23(9-15-27)21(31)28(22(32)24-23)18-6-12-26(13-7-18)20(30)17(3)25-10-4-5-11-25/h16-18H,4-15H2,1-3H3,(H,24,32)/t17-/m1/s1.
What are the key properties of 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 447.58 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 92620507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).