N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide

C23H26N4O2 — CID 54094091

IUPACN-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
SMILESC[C@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccco1)c1cnccn1
InChIInChI=1S/C23H26N4O2/c1-18-17-26(13-9-19-6-3-2-4-7-19)14-10-20(18)27(22-16-24-11-12-25-22)23(28)21-8-5-15-29-21/h2-8,11-12,15-16,18,20H,9-10,13-14,17H2,1H3/t18-,20-/m0/s1
InChIKeyMVWFFIIXYPHNDN-ICSRJNTNSA-N
MW390.49 g/mol
LogP3.67
Rot. Bonds6

About N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide

N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide (PubChem CID 54094091) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
PubChem CID54094091
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
SMILESC[C@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccco1)c1cnccn1
InChIInChI=1S/C23H26N4O2/c1-18-17-26(13-9-19-6-3-2-4-7-19)14-10-20(18)27(22-16-24-11-12-25-22)23(28)21-8-5-15-29-21/h2-8,11-12,15-16,18,20H,9-10,13-14,17H2,1H3/t18-,20-/m0/s1
InChIKeyMVWFFIIXYPHNDN-ICSRJNTNSA-N
XLogP3.67
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-(3-acetamidophenyl)-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;oxalic acid
CID 11620778
N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide
CID 70373665
N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
CID 14699488
N-[1-(2-phenylethyl)piperidin-4-yl]-N-quinolin-3-ylfuran-2-carboxamide
CID 14330418
N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
CID 118895801
2-methoxy-N-[(3S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 18602333
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 67904546
N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide
CID 54489590
N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 165361570
benzyl 3-[(3S,4R)-4-[3-amino-N-(furan-2-carbonyl)anilino]-3-methylpiperidin-1-yl]-2-phenylpropanoate
CID 68957737
methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate
CID 11955471

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide?
The IUPAC name of N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide (CID 54094091) is N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide is C[C@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccco1)c1cnccn1.
What is the InChIKey of N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide?
The InChIKey is MVWFFIIXYPHNDN-ICSRJNTNSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-17-26(13-9-19-6-3-2-4-7-19)14-10-20(18)27(22-16-24-11-12-25-22)23(28)21-8-5-15-29-21/h2-8,11-12,15-16,18,20H,9-10,13-14,17H2,1H3/t18-,20-/m0/s1.
What are the key properties of N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide?
N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide is sourced from PubChem (CID 54094091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).