1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one

C19H33N3O2 — CID 138383809

IUPAC1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one
SMILESCC(C)N1CC(CN2CCC(C(=O)N3CCCC3)CC2)CCC1=O
InChIInChI=1S/C19H33N3O2/c1-15(2)22-14-16(5-6-18(22)23)13-20-11-7-17(8-12-20)19(24)21-9-3-4-10-21/h15-17H,3-14H2,1-2H3
InChIKeyXQWUCGBWORQIOX-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.97
Rot. Bonds4

About 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one

1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one (PubChem CID 138383809) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one
PubChem CID138383809
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one
SMILESCC(C)N1CC(CN2CCC(C(=O)N3CCCC3)CC2)CCC1=O
InChIInChI=1S/C19H33N3O2/c1-15(2)22-14-16(5-6-18(22)23)13-20-11-7-17(8-12-20)19(24)21-9-3-4-10-21/h15-17H,3-14H2,1-2H3
InChIKeyXQWUCGBWORQIOX-UHFFFAOYSA-N
XLogP1.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 138381321
5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one
CID 138807134
5-[(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-propan-2-ylpiperidin-2-one
CID 138808811
(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
CID 25447256
(5S)-5-amino-1-propan-2-ylpiperidin-2-one
CID 95241415
[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 167480597
(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 95143555
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
CID 138808378
1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683784
4-(4-hydroxy-4-methylazepane-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 107406810
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one (CID 138383809) is 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one is CC(C)N1CC(CN2CCC(C(=O)N3CCCC3)CC2)CCC1=O.
What is the InChIKey of 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one?
The InChIKey is XQWUCGBWORQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15(2)22-14-16(5-6-18(22)23)13-20-11-7-17(8-12-20)19(24)21-9-3-4-10-21/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one?
1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one has a molecular weight of 335.49 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 138383809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).