ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate

C20H30N2O2 — CID 45232556

IUPACethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CC2)CCN(C(C)Cc2cccnc2)CC1
InChIInChI=1S/C20H30N2O2/c1-3-24-19(23)20(14-17-6-7-17)8-11-22(12-9-20)16(2)13-18-5-4-10-21-15-18/h4-5,10,15-17H,3,6-9,11-14H2,1-2H3
InChIKeySMRFIPCODLCEFH-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.46
Rot. Bonds7

About ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate

ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate (PubChem CID 45232556) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate
PubChem CID45232556
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nameethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CC2)CCN(C(C)Cc2cccnc2)CC1
InChIInChI=1S/C20H30N2O2/c1-3-24-19(23)20(14-17-6-7-17)8-11-22(12-9-20)16(2)13-18-5-4-10-21-15-18/h4-5,10,15-17H,3,6-9,11-14H2,1-2H3
InChIKeySMRFIPCODLCEFH-UHFFFAOYSA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate (CID 45232556) is ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate is CCOC(=O)C1(CC2CC2)CCN(C(C)Cc2cccnc2)CC1.
What is the InChIKey of ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate?
The InChIKey is SMRFIPCODLCEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-24-19(23)20(14-17-6-7-17)8-11-22(12-9-20)16(2)13-18-5-4-10-21-15-18/h4-5,10,15-17H,3,6-9,11-14H2,1-2H3.
What are the key properties of ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate?
ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 45232556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).