5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine

C28H38ClN7O — CID 16742563

IUPAC5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(N3CCN(C4CCN(Cc5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1
InChIInChI=1S/C28H38ClN7O/c1-4-23-19-35(26-11-10-25(31-20(26)3)27-32-33-28(37-27)30-5-2)16-17-36(23)24-12-14-34(15-13-24)18-21-6-8-22(29)9-7-21/h6-11,23-24H,4-5,12-19H2,1-3H3,(H,30,33)/t23-/m0/s1
InChIKeyDYQIFYSMXMGQTF-QHCPKHFHSA-N
MW524.11 g/mol
LogP5.09
Rot. Bonds8

About 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine

5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 16742563) has the molecular formula C28H38ClN7O and a molecular weight of 524.11 g/mol. Its IUPAC name is 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID16742563
Molecular FormulaC28H38ClN7O
Molecular Weight524.11 g/mol
Exact Mass523.28
IUPAC Name5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(N3CCN(C4CCN(Cc5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1
InChIInChI=1S/C28H38ClN7O/c1-4-23-19-35(26-11-10-25(31-20(26)3)27-32-33-28(37-27)30-5-2)16-17-36(23)24-12-14-34(15-13-24)18-21-6-8-22(29)9-7-21/h6-11,23-24H,4-5,12-19H2,1-3H3,(H,30,33)/t23-/m0/s1
InChIKeyDYQIFYSMXMGQTF-QHCPKHFHSA-N
XLogP5.09
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.11
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine 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 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine (CID 16742563) is 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine is CCNc1nnc(-c2ccc(N3CCN(C4CCN(Cc5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1.
What is the InChIKey of 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is DYQIFYSMXMGQTF-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H38ClN7O/c1-4-23-19-35(26-11-10-25(31-20(26)3)27-32-33-28(37-27)30-5-2)16-17-36(23)24-12-14-34(15-13-24)18-21-6-8-22(29)9-7-21/h6-11,23-24H,4-5,12-19H2,1-3H3,(H,30,33)/t23-/m0/s1.
What are the key properties of 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine?
5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 524.11 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 16742563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).