(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one

C21H35N3O4 — CID 164636298

IUPAC(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCC(C)CCC(=O)N1CCC(CN2C[C@@H](C(=O)N3CCOCC3)CC2=O)CC1
InChIInChI=1S/C21H35N3O4/c1-16(2)3-4-19(25)22-7-5-17(6-8-22)14-24-15-18(13-20(24)26)21(27)23-9-11-28-12-10-23/h16-18H,3-15H2,1-2H3/t18-/m0/s1
InChIKeyTUOWIOBJSFJAPD-SFHVURJKSA-N
MW393.53 g/mol
LogP1.37
Rot. Bonds6

About (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one

(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 164636298) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID164636298
Molecular FormulaC21H35N3O4
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC Name(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCC(C)CCC(=O)N1CCC(CN2C[C@@H](C(=O)N3CCOCC3)CC2=O)CC1
InChIInChI=1S/C21H35N3O4/c1-16(2)3-4-19(25)22-7-5-17(6-8-22)14-24-15-18(13-20(24)26)21(27)23-9-11-28-12-10-23/h16-18H,3-15H2,1-2H3/t18-/m0/s1
InChIKeyTUOWIOBJSFJAPD-SFHVURJKSA-N
XLogP1.37
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 164636298) is (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one is CC(C)CCC(=O)N1CCC(CN2C[C@@H](C(=O)N3CCOCC3)CC2=O)CC1.
What is the InChIKey of (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is TUOWIOBJSFJAPD-SFHVURJKSA-N. The full InChI is InChI=1S/C21H35N3O4/c1-16(2)3-4-19(25)22-7-5-17(6-8-22)14-24-15-18(13-20(24)26)21(27)23-9-11-28-12-10-23/h16-18H,3-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 393.53 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 164636298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).