ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate

C17H29N3O3 — CID 110754783

IUPACethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C17H29N3O3/c1-2-23-17(22)20-11-9-19(10-12-20)16(21)13-14-5-7-18(8-6-14)15-3-4-15/h14-15H,2-13H2,1H3
InChIKeyRJPNUQNIIBXRLB-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.55
Rot. Bonds4

About ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate (PubChem CID 110754783) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate
PubChem CID110754783
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nameethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C17H29N3O3/c1-2-23-17(22)20-11-9-19(10-12-20)16(21)13-14-5-7-18(8-6-14)15-3-4-15/h14-15H,2-13H2,1H3
InChIKeyRJPNUQNIIBXRLB-UHFFFAOYSA-N
XLogP1.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 25384108
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
ethyl 2-(4-cyclopropylpiperazin-1-yl)-2-oxoacetate
CID 61443814
2-(1-cyclopropylpiperidin-4-yl)-N,N-diethylacetamide
CID 110754789
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
CID 134032765
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
1-(4-cyclohexylpiperazin-1-yl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]ethanone
CID 46330451

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate (CID 110754783) is ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC2CCN(C3CC3)CC2)CC1.
What is the InChIKey of ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is RJPNUQNIIBXRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-2-23-17(22)20-11-9-19(10-12-20)16(21)13-14-5-7-18(8-6-14)15-3-4-15/h14-15H,2-13H2,1H3.
What are the key properties of ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1-cyclopropylpiperidin-4-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110754783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).