N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide

C20H21N3O4 — CID 97282973

IUPACN-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1)c1ccco1
InChIInChI=1S/C20H21N3O4/c24-19(11-16-15-6-1-2-7-17(15)27-22-16)23-9-3-5-14(13-23)12-21-20(25)18-8-4-10-26-18/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,21,25)/t14-/m1/s1
InChIKeyQSRTVJDSAFLZJR-CQSZACIVSA-N
MW367.40 g/mol
LogP2.63
Rot. Bonds5

About N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide

N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 97282973) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID97282973
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1)c1ccco1
InChIInChI=1S/C20H21N3O4/c24-19(11-16-15-6-1-2-7-17(15)27-22-16)23-9-3-5-14(13-23)12-21-20(25)18-8-4-10-26-18/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,21,25)/t14-/m1/s1
InChIKeyQSRTVJDSAFLZJR-CQSZACIVSA-N
XLogP2.63
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
CID 52861521
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
2-(1,2-benzoxazol-3-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63264257
N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 72882861
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
CID 52851447
N-[[(3S)-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97283148
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
1-[4-(benzenesulfonyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 71808758
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide (CID 97282973) is N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide is O=C(NC[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1)c1ccco1.
What is the InChIKey of N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is QSRTVJDSAFLZJR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(11-16-15-6-1-2-7-17(15)27-22-16)23-9-3-5-14(13-23)12-21-20(25)18-8-4-10-26-18/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,21,25)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 97282973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).