(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide

C21H26N2O4 — CID 52524693

IUPAC(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C21H26N2O4/c1-15(2)27-18-10-4-3-8-16(18)14-22-20(24)17-9-5-6-12-23(17)21(25)19-11-7-13-26-19/h3-4,7-8,10-11,13,15,17H,5-6,9,12,14H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyNYRCMNWOJKPLGS-KRWDZBQOSA-N
MW370.45 g/mol
LogP3.38
Rot. Bonds6

About (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide

(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide (PubChem CID 52524693) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
PubChem CID52524693
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C21H26N2O4/c1-15(2)27-18-10-4-3-8-16(18)14-22-20(24)17-9-5-6-12-23(17)21(25)19-11-7-13-26-19/h3-4,7-8,10-11,13,15,17H,5-6,9,12,14H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyNYRCMNWOJKPLGS-KRWDZBQOSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 55975411
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24582300
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 95587013
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136520094
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide (CID 52524693) is (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide is CC(C)Oc1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is NYRCMNWOJKPLGS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)27-18-10-4-3-8-16(18)14-22-20(24)17-9-5-6-12-23(17)21(25)19-11-7-13-26-19/h3-4,7-8,10-11,13,15,17H,5-6,9,12,14H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide?
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 52524693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).