ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate

C19H32N4O4 — CID 55409239

IUPACethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)C1
InChIInChI=1S/C19H32N4O4/c1-2-27-19(26)15-4-3-7-23(12-15)18(25)14-22-10-8-21(9-11-22)13-17(24)20-16-5-6-16/h15-16H,2-14H2,1H3,(H,20,24)
InChIKeyWKBYUOLUQVPQRJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP-0.32
Rot. Bonds7

About ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate (PubChem CID 55409239) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
PubChem CID55409239
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Nameethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)C1
InChIInChI=1S/C19H32N4O4/c1-2-27-19(26)15-4-3-7-23(12-15)18(25)14-22-10-8-21(9-11-22)13-17(24)20-16-5-6-16/h15-16H,2-14H2,1H3,(H,20,24)
InChIKeyWKBYUOLUQVPQRJ-UHFFFAOYSA-N
XLogP-0.32
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78787403
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55506082
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55505863
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502855
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate (CID 55409239) is ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)C1.
What is the InChIKey of ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The InChIKey is WKBYUOLUQVPQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-2-27-19(26)15-4-3-7-23(12-15)18(25)14-22-10-8-21(9-11-22)13-17(24)20-16-5-6-16/h15-16H,2-14H2,1H3,(H,20,24).
What are the key properties of ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate has a molecular weight of 380.49 g/mol, XLogP of -0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 55409239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).