4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

C21H26N2O4 — CID 95097972

IUPAC4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)cc1
InChIInChI=1S/C21H26N2O4/c1-15(2)22-20(24)17-7-9-18(10-8-17)27-14-16-5-3-11-23(13-16)21(25)19-6-4-12-26-19/h4,6-10,12,15-16H,3,5,11,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyRRHPMYYSJHYMPZ-INIZCTEOSA-N
MW370.45 g/mol
LogP3.35
Rot. Bonds6

About 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 95097972) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID95097972
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)cc1
InChIInChI=1S/C21H26N2O4/c1-15(2)22-20(24)17-7-9-18(10-8-17)27-14-16-5-3-11-23(13-16)21(25)19-6-4-12-26-19/h4,6-10,12,15-16H,3,5,11,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyRRHPMYYSJHYMPZ-INIZCTEOSA-N
XLogP3.35
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(furan-2-carbonyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150573
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097994
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097997
4-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097967
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911
4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097980
ethyl 4-[[4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321048
ethyl 4-[[4-[[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321044
furan-2-yl-[3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45207969
furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42501418
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019494

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (CID 95097972) is 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)cc1.
What is the InChIKey of 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is RRHPMYYSJHYMPZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)22-20(24)17-7-9-18(10-8-17)27-14-16-5-3-11-23(13-16)21(25)19-6-4-12-26-19/h4,6-10,12,15-16H,3,5,11,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 95097972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).