ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate

C30H40N2O3 — CID 78321036

IUPACethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CC1
InChIInChI=1S/C30H40N2O3/c1-3-35-30(34)28-17-21-32(22-18-28)29(33)15-10-24-6-11-26(12-7-24)27-13-8-25(9-14-27)16-20-31-19-4-5-23(31)2/h6-9,11-14,23,28H,3-5,10,15-22H2,1-2H3/t23-/m1/s1
InChIKeyNIDDDEAVYAHNSA-HSZRJFAPSA-N
MW476.66 g/mol
LogP5.11
Rot. Bonds9

About ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate (PubChem CID 78321036) has the molecular formula C30H40N2O3 and a molecular weight of 476.66 g/mol. Its IUPAC name is ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate
PubChem CID78321036
Molecular FormulaC30H40N2O3
Molecular Weight476.66 g/mol
Exact Mass476.30
IUPAC Nameethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CC1
InChIInChI=1S/C30H40N2O3/c1-3-35-30(34)28-17-21-32(22-18-28)29(33)15-10-24-6-11-26(12-7-24)27-13-8-25(9-14-27)16-20-31-19-4-5-23(31)2/h6-9,11-14,23,28H,3-5,10,15-22H2,1-2H3/t23-/m1/s1
InChIKeyNIDDDEAVYAHNSA-HSZRJFAPSA-N
XLogP5.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate (CID 78321036) is ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CC1.
What is the InChIKey of ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate?
The InChIKey is NIDDDEAVYAHNSA-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H40N2O3/c1-3-35-30(34)28-17-21-32(22-18-28)29(33)15-10-24-6-11-26(12-7-24)27-13-8-25(9-14-27)16-20-31-19-4-5-23(31)2/h6-9,11-14,23,28H,3-5,10,15-22H2,1-2H3/t23-/m1/s1.
What are the key properties of ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate has a molecular weight of 476.66 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 78321036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).