ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate

C21H31N3O4 — CID 20907510

IUPACethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C21H31N3O4/c1-2-28-20(25)15-17-3-5-19(6-4-17)22-21(26)24-9-7-18(8-10-24)16-23-11-13-27-14-12-23/h3-6,18H,2,7-16H2,1H3,(H,22,26)
InChIKeyVZYSRLTUHUXAQY-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.37
Rot. Bonds6

About ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate

ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate (PubChem CID 20907510) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
PubChem CID20907510
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Nameethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C21H31N3O4/c1-2-28-20(25)15-17-3-5-19(6-4-17)22-21(26)24-9-7-18(8-10-24)16-23-11-13-27-14-12-23/h3-6,18H,2,7-16H2,1H3,(H,22,26)
InChIKeyVZYSRLTUHUXAQY-UHFFFAOYSA-N
XLogP2.37
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-[4-(methoxymethyl)phenyl]-4-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 119049868
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 78887090
N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437
ethyl 2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 20907521
ethyl 2-[4-[[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]amino]phenyl]acetate
CID 72841656
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate (CID 20907510) is ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cc1.
What is the InChIKey of ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate?
The InChIKey is VZYSRLTUHUXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-2-28-20(25)15-17-3-5-19(6-4-17)22-21(26)24-9-7-18(8-10-24)16-23-11-13-27-14-12-23/h3-6,18H,2,7-16H2,1H3,(H,22,26).
What are the key properties of ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate?
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate has a molecular weight of 389.50 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 20907510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).