N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C26H33N5O2 — CID 53102085

IUPACN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCCN(CCc3ccccc3)Cc3ccco3)C2)n1
InChIInChI=1S/C26H33N5O2/c1-21-11-13-28-26(29-21)31-15-5-9-23(19-31)25(32)27-14-17-30(20-24-10-6-18-33-24)16-12-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,18,23H,5,9,12,14-17,19-20H2,1H3,(H,27,32)
InChIKeyAKLAQLLZNMZAPA-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.46
Rot. Bonds10

About N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 53102085) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID53102085
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCCN(CCc3ccccc3)Cc3ccco3)C2)n1
InChIInChI=1S/C26H33N5O2/c1-21-11-13-28-26(29-21)31-15-5-9-23(19-31)25(32)27-14-17-30(20-24-10-6-18-33-24)16-12-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,18,23H,5,9,12,14-17,19-20H2,1H3,(H,27,32)
InChIKeyAKLAQLLZNMZAPA-UHFFFAOYSA-N
XLogP3.46
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide 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 N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 53102085) is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)NCCN(CCc3ccccc3)Cc3ccco3)C2)n1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is AKLAQLLZNMZAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-21-11-13-28-26(29-21)31-15-5-9-23(19-31)25(32)27-14-17-30(20-24-10-6-18-33-24)16-12-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,18,23H,5,9,12,14-17,19-20H2,1H3,(H,27,32).
What are the key properties of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53102085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).