N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide

C21H28N2O3 — CID 26834301

IUPACN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C21H28N2O3/c1-16(2)26-18-10-8-17(9-11-18)21(24)22-15-19(20-7-6-14-25-20)23-12-4-3-5-13-23/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyHCSQJABJPMERJZ-LJQANCHMSA-N
MW356.47 g/mol
LogP4.02
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide (PubChem CID 26834301) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
PubChem CID26834301
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C21H28N2O3/c1-16(2)26-18-10-8-17(9-11-18)21(24)22-15-19(20-7-6-14-25-20)23-12-4-3-5-13-23/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyHCSQJABJPMERJZ-LJQANCHMSA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 4841525
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
CID 17012146
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 17390945
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide (CID 26834301) is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide?
The InChIKey is HCSQJABJPMERJZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16(2)26-18-10-8-17(9-11-18)21(24)22-15-19(20-7-6-14-25-20)23-12-4-3-5-13-23/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide?
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide has a molecular weight of 356.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 26834301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).