N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide

C21H28N2O3 — CID 2468270

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C21H28N2O3/c1-17-7-5-8-18(15-17)25-14-10-21(24)22-16-19(20-9-6-13-26-20)23-11-3-2-4-12-23/h5-9,13,15,19H,2-4,10-12,14,16H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyYKPVJEFRIBUFFX-IBGZPJMESA-N
MW356.47 g/mol
LogP3.70
Rot. Bonds8

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 2468270) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
PubChem CID2468270
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C21H28N2O3/c1-17-7-5-8-18(15-17)25-14-10-21(24)22-16-19(20-9-6-13-26-20)23-11-3-2-4-12-23/h5-9,13,15,19H,2-4,10-12,14,16H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyYKPVJEFRIBUFFX-IBGZPJMESA-N
XLogP3.70
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
CID 55928920
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052510
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468273
4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 46512708
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 24982269
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 25161656
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
CID 134018677

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide (CID 2468270) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is YKPVJEFRIBUFFX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O3/c1-17-7-5-8-18(15-17)25-14-10-21(24)22-16-19(20-9-6-13-26-20)23-11-3-2-4-12-23/h5-9,13,15,19H,2-4,10-12,14,16H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2468270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).