ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate

C16H28N2O4 — CID 18521561

IUPACethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCN2CCOCC2)CC1
InChIInChI=1S/C16H28N2O4/c1-2-22-16(20)14-5-8-18(9-6-14)15(19)4-3-7-17-10-12-21-13-11-17/h14H,2-13H2,1H3
InChIKeyANVOEJAJMXBEAQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.90
Rot. Bonds6

About ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate

ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate (PubChem CID 18521561) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate
PubChem CID18521561
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nameethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCN2CCOCC2)CC1
InChIInChI=1S/C16H28N2O4/c1-2-22-16(20)14-5-8-18(9-6-14)15(19)4-3-7-17-10-12-21-13-11-17/h14H,2-13H2,1H3
InChIKeyANVOEJAJMXBEAQ-UHFFFAOYSA-N
XLogP0.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Boc-4-(morpholine-4-carbonyl)piperidine
CID 3238778
Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Ethyl 1-{[1-(pyrrolidin-1-ylsulfonyl)piperidin-4-yl]carbonyl}piperidine-4-carboxylate
CID 3245402
Ethyl 1-{2-[4-(ethoxycarbonyl)piperidyl]-2-oxoacetyl}piperidine-4-carboxylate
CID 3620478
Methyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 652792
Ethyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 669644
Methyl 1-[ethoxy(oxo)acetyl]-4-piperidinecarboxylate
CID 2162118
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
2-Diethylaminoethyl 1-methylpiperidine-4-carboxylate
CID 515605
Cambridge id 6578647
CID 883920

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate (CID 18521561) is ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCCN2CCOCC2)CC1.
What is the InChIKey of ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate?
The InChIKey is ANVOEJAJMXBEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-2-22-16(20)14-5-8-18(9-6-14)15(19)4-3-7-17-10-12-21-13-11-17/h14H,2-13H2,1H3.
What are the key properties of ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate?
ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-morpholin-4-ylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 18521561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).