N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide

C17H30N4O3 — CID 163199996

IUPACN,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2C(=O)N(C)C)C1
InChIInChI=1S/C17H30N4O3/c1-12-11-24-8-7-20(12)13-9-15(18-16(22)10-13)21-6-4-5-14(21)17(23)19(2)3/h12-15H,4-11H2,1-3H3,(H,18,22)/t12-,13?,14?,15?/m1/s1
InChIKeyDHQBQTGLYBSNDF-AUXXQLBISA-N
MW338.45 g/mol
LogP-0.14
Rot. Bonds3

About N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 163199996) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID163199996
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2C(=O)N(C)C)C1
InChIInChI=1S/C17H30N4O3/c1-12-11-24-8-7-20(12)13-9-15(18-16(22)10-13)21-6-4-5-14(21)17(23)19(2)3/h12-15H,4-11H2,1-3H3,(H,18,22)/t12-,13?,14?,15?/m1/s1
InChIKeyDHQBQTGLYBSNDF-AUXXQLBISA-N
XLogP-0.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide (CID 163199996) is N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide is C[C@@H]1COCCN1C1CC(=O)NC(N2CCCC2C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is DHQBQTGLYBSNDF-AUXXQLBISA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12-11-24-8-7-20(12)13-9-15(18-16(22)10-13)21-6-4-5-14(21)17(23)19(2)3/h12-15H,4-11H2,1-3H3,(H,18,22)/t12-,13?,14?,15?/m1/s1.
What are the key properties of N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-oxopiperidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163199996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).