N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide

C21H28N2O4 — CID 32603172

IUPACN-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C[C@@H](O)COCc2ccco2)CC1
InChIInChI=1S/C21H28N2O4/c24-19(15-26-16-20-7-4-12-27-20)14-23-10-8-18(9-11-23)21(25)22-13-17-5-2-1-3-6-17/h1-7,12,18-19,24H,8-11,13-16H2,(H,22,25)/t19-/m1/s1
InChIKeyMKFLOLLUYACQHH-LJQANCHMSA-N
MW372.46 g/mol
LogP2.19
Rot. Bonds9

About N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide

N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 32603172) has the molecular formula C21H28N2O4 and a molecular weight of 372.46 g/mol. Its IUPAC name is N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID32603172
Molecular FormulaC21H28N2O4
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC NameN-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C[C@@H](O)COCc2ccco2)CC1
InChIInChI=1S/C21H28N2O4/c24-19(15-26-16-20-7-4-12-27-20)14-23-10-8-18(9-11-23)21(25)22-13-17-5-2-1-3-6-17/h1-7,12,18-19,24H,8-11,13-16H2,(H,22,25)/t19-/m1/s1
InChIKeyMKFLOLLUYACQHH-LJQANCHMSA-N
XLogP2.19
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 32603232
1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882093
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide
CID 24534494
1-(furan-2-ylmethyl)-N-(2-hydroxy-3-phenoxypropyl)piperidine-4-carboxamide
CID 72923240
1-(8-azaspiro[4.5]decan-8-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 111437430
N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 110898076
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 3744667
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide (CID 32603172) is N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C[C@@H](O)COCc2ccco2)CC1.
What is the InChIKey of N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is MKFLOLLUYACQHH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O4/c24-19(15-26-16-20-7-4-12-27-20)14-23-10-8-18(9-11-23)21(25)22-13-17-5-2-1-3-6-17/h1-7,12,18-19,24H,8-11,13-16H2,(H,22,25)/t19-/m1/s1.
What are the key properties of N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide?
N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide has a molecular weight of 372.46 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 32603172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).