N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide

C22H27ClN2O2 — CID 24731871

IUPACN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CC1CC1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c23-19-7-5-17(6-8-19)9-12-24-13-10-20(11-14-24)25(16-18-3-4-18)22(26)21-2-1-15-27-21/h1-2,5-8,15,18,20H,3-4,9-14,16H2
InChIKeyICBZYNIGAJEGJH-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.49
Rot. Bonds7

About N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide (PubChem CID 24731871) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide
PubChem CID24731871
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CC1CC1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c23-19-7-5-17(6-8-19)9-12-24-13-10-20(11-14-24)25(16-18-3-4-18)22(26)21-2-1-15-27-21/h1-2,5-8,15,18,20H,3-4,9-14,16H2
InChIKeyICBZYNIGAJEGJH-UHFFFAOYSA-N
XLogP4.49
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
CID 118895801
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 24732101
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 24731148
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)furan-2-carboxamide
CID 90607378
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851901
N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 165361570
N-(1-benzylpiperidin-4-yl)-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 42696491
1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
CID 154747609
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-cyano-N-methylbenzamide
CID 72924461
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
N-[1-(2-phenylethyl)piperidin-4-yl]-N-quinolin-3-ylfuran-2-carboxamide
CID 14330418

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide (CID 24731871) is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide is O=C(c1ccco1)N(CC1CC1)C1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide?
The InChIKey is ICBZYNIGAJEGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c23-19-7-5-17(6-8-19)9-12-24-13-10-20(11-14-24)25(16-18-3-4-18)22(26)21-2-1-15-27-21/h1-2,5-8,15,18,20H,3-4,9-14,16H2.
What are the key properties of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide?
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide has a molecular weight of 386.92 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide is sourced from PubChem (CID 24731871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).