ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate

C20H29N3O4 — CID 108567069

IUPACethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-4-27-19(25)10-9-18(24)21-16-11-13-23(14-12-16)20(26)15-5-7-17(8-6-15)22(2)3/h5-8,16H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyUDAWCNMJAIOWAY-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.82
Rot. Bonds7

About ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate

ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate (PubChem CID 108567069) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
PubChem CID108567069
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nameethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-4-27-19(25)10-9-18(24)21-16-11-13-23(14-12-16)20(26)15-5-7-17(8-6-15)22(2)3/h5-8,16H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyUDAWCNMJAIOWAY-UHFFFAOYSA-N
XLogP1.82
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108562813
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
ethyl 4-oxo-4-[[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]amino]butanoate
CID 108564420
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide
CID 108554961
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028878
ethyl 1-[4-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-4-oxobutanoyl]piperidine-4-carboxylate
CID 4996073
ethyl 4-[[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108564540
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 38949283

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate (CID 108567069) is ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate?
The InChIKey is UDAWCNMJAIOWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-27-19(25)10-9-18(24)21-16-11-13-23(14-12-16)20(26)15-5-7-17(8-6-15)22(2)3/h5-8,16H,4,9-14H2,1-3H3,(H,21,24).
What are the key properties of ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate?
ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate has a molecular weight of 375.47 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 108567069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).