N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide

C20H21ClN4O2 — CID 155541357

IUPACN-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide
SMILESCn1nccc1-c1coc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN4O2/c1-25-18(7-9-23-25)14-10-19(27-12-14)20(26)24-17-11-22-8-6-16(17)13-2-4-15(21)5-3-13/h2-5,7,9-10,12,16-17,22H,6,8,11H2,1H3,(H,24,26)/t16-,17+/m0/s1
InChIKeyUPTPNAYLJUONNP-DLBZAZTESA-N
MW384.87 g/mol
LogP3.21
Rot. Bonds4

About N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide

N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide (PubChem CID 155541357) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide
PubChem CID155541357
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide
SMILESCn1nccc1-c1coc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN4O2/c1-25-18(7-9-23-25)14-10-19(27-12-14)20(26)24-17-11-22-8-6-16(17)13-2-4-15(21)5-3-13/h2-5,7,9-10,12,16-17,22H,6,8,11H2,1H3,(H,24,26)/t16-,17+/m0/s1
InChIKeyUPTPNAYLJUONNP-DLBZAZTESA-N
XLogP3.21
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide (CID 155541357) is N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide is Cn1nccc1-c1coc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide?
The InChIKey is UPTPNAYLJUONNP-DLBZAZTESA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-25-18(7-9-23-25)14-10-19(27-12-14)20(26)24-17-11-22-8-6-16(17)13-2-4-15(21)5-3-13/h2-5,7,9-10,12,16-17,22H,6,8,11H2,1H3,(H,24,26)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide?
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 155541357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).