3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one

C22H37N3O3 — CID 177276661

IUPAC3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one
SMILESCC(C)CC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(C)C
InChIInChI=1S/C22H37N3O3/c1-15(2)14-20(26)17-8-5-12-24(17)22(28)19-10-7-13-25(19)21(27)18-9-6-11-23(18)16(3)4/h15-19H,5-14H2,1-4H3
InChIKeyKKGMAXIGXIDIAV-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.46
Rot. Bonds6

About 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one

3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one (PubChem CID 177276661) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one
PubChem CID177276661
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one
SMILESCC(C)CC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(C)C
InChIInChI=1S/C22H37N3O3/c1-15(2)14-20(26)17-8-5-12-24(17)22(28)19-10-7-13-25(19)21(27)18-9-6-11-23(18)16(3)4/h15-19H,5-14H2,1-4H3
InChIKeyKKGMAXIGXIDIAV-UHFFFAOYSA-N
XLogP2.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylbutanoyl)pyrrolidin-1-yl]pentane-1,4-dione
CID 58226522
tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate
CID 82088746
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 138029015
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
1-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-methylhexane-1,4-dione
CID 138721650
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone
CID 154844605
[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176781648
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one (CID 177276661) is 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one is CC(C)CC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(C)C.
What is the InChIKey of 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one?
The InChIKey is KKGMAXIGXIDIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-15(2)14-20(26)17-8-5-12-24(17)22(28)19-10-7-13-25(19)21(27)18-9-6-11-23(18)16(3)4/h15-19H,5-14H2,1-4H3.
What are the key properties of 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one?
3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one has a molecular weight of 391.56 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]butan-1-one is sourced from PubChem (CID 177276661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).