methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate

C23H34N4O3 — CID 118297936

IUPACmethyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(=O)N(C)C)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1
InChIInChI=1S/C23H34N4O3/c1-25(2)21(28)14-23(15-26(16-23)22(29)30-3)27-11-9-18(10-12-27)24-20-13-19(20)17-7-5-4-6-8-17/h4-8,18-20,24H,9-16H2,1-3H3/t19?,20-/m1/s1
InChIKeyYGYJDIMVBSOMLI-GFOWMXPYSA-N
MW414.55 g/mol
LogP1.90
Rot. Bonds6

About methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate

methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate (PubChem CID 118297936) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate
PubChem CID118297936
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Namemethyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(=O)N(C)C)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1
InChIInChI=1S/C23H34N4O3/c1-25(2)21(28)14-23(15-26(16-23)22(29)30-3)27-11-9-18(10-12-27)24-20-13-19(20)17-7-5-4-6-8-17/h4-8,18-20,24H,9-16H2,1-3H3/t19?,20-/m1/s1
InChIKeyYGYJDIMVBSOMLI-GFOWMXPYSA-N
XLogP1.90
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate with MolForge

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Related Compounds

CID 16191651
CID 16191651
CID 16190258
CID 16190258
CID 16191352
CID 16191352
CID 118292305
CID 118292305
CID 118292324
CID 118292324
CID 118292330
CID 118292330
CID 118292333
CID 118292333
CID 118292370
CID 118292370
CID 118292414
CID 118292414
CID 118292475
CID 118292475
CID 118292488
CID 118292488
CID 118297887
CID 118297887

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate?
The IUPAC name of methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate (CID 118297936) is methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate?
The canonical SMILES for methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate is COC(=O)N1CC(CC(=O)N(C)C)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1.
What is the InChIKey of methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate?
The InChIKey is YGYJDIMVBSOMLI-GFOWMXPYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-25(2)21(28)14-23(15-26(16-23)22(29)30-3)27-11-9-18(10-12-27)24-20-13-19(20)17-7-5-4-6-8-17/h4-8,18-20,24H,9-16H2,1-3H3/t19?,20-/m1/s1.
What are the key properties of methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate?
methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate has a molecular weight of 414.55 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxylate is sourced from PubChem (CID 118297936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).