ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate

C20H36N4O3 — CID 25384108

IUPACethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CC3CCN(C)CC3)C2)CC1
InChIInChI=1S/C20H36N4O3/c1-3-27-20(26)23-13-11-22(12-14-23)18-5-4-8-24(16-18)19(25)15-17-6-9-21(2)10-7-17/h17-18H,3-16H2,1-2H3/t18-/m1/s1
InChIKeySEEVGFNDGWRNKM-GOSISDBHSA-N
MW380.53 g/mol
LogP1.48
Rot. Bonds4

About ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 25384108) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
PubChem CID25384108
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Nameethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CC3CCN(C)CC3)C2)CC1
InChIInChI=1S/C20H36N4O3/c1-3-27-20(26)23-13-11-22(12-14-23)18-5-4-8-24(16-18)19(25)15-17-6-9-21(2)10-7-17/h17-18H,3-16H2,1-2H3/t18-/m1/s1
InChIKeySEEVGFNDGWRNKM-GOSISDBHSA-N
XLogP1.48
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate
CID 110754783
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
ethyl 4-[(3S)-1-[2-(3,4-dimethylphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 95713864
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CID 45206671
ethyl 4-[1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45209996
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CID 79945645
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 4-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42286032
ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45212916
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate (CID 25384108) is ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CC3CCN(C)CC3)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is SEEVGFNDGWRNKM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-3-27-20(26)23-13-11-22(12-14-23)18-5-4-8-24(16-18)19(25)15-17-6-9-21(2)10-7-17/h17-18H,3-16H2,1-2H3/t18-/m1/s1.
What are the key properties of ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate?
ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 380.53 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 25384108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).