1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

C17H27N5O3 — CID 155500045

IUPAC1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCN(C)C[C@@H]1OCCN(C(=O)CN2CCCC2=O)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H27N5O3/c1-19(2)11-14-17(13-9-18-20(3)10-13)22(7-8-25-14)16(24)12-21-6-4-5-15(21)23/h9-10,14,17H,4-8,11-12H2,1-3H3/t14-,17-/m0/s1
InChIKeyDPQKUQGFRAIULT-YOEHRIQHSA-N
MW349.44 g/mol
LogP-0.13
Rot. Bonds5

About 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 155500045) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID155500045
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCN(C)C[C@@H]1OCCN(C(=O)CN2CCCC2=O)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H27N5O3/c1-19(2)11-14-17(13-9-18-20(3)10-13)22(7-8-25-14)16(24)12-21-6-4-5-15(21)23/h9-10,14,17H,4-8,11-12H2,1-3H3/t14-,17-/m0/s1
InChIKeyDPQKUQGFRAIULT-YOEHRIQHSA-N
XLogP-0.13
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (CID 155500045) is 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is CN(C)C[C@@H]1OCCN(C(=O)CN2CCCC2=O)[C@H]1c1cnn(C)c1.
What is the InChIKey of 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is DPQKUQGFRAIULT-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-19(2)11-14-17(13-9-18-20(3)10-13)22(7-8-25-14)16(24)12-21-6-4-5-15(21)23/h9-10,14,17H,4-8,11-12H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 349.44 g/mol, XLogP of -0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 155500045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).