N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide

C19H28N2O3 — CID 97082363

IUPACN-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(OC[C@@H]2CCCCO2)CC1
InChIInChI=1S/C19H28N2O3/c22-19(20-14-16-6-2-1-3-7-16)21-11-9-17(10-12-21)24-15-18-8-4-5-13-23-18/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t18-/m0/s1
InChIKeyDNUPVCIDPUYIQA-SFHVURJKSA-N
MW332.44 g/mol
LogP2.95
Rot. Bonds5

About N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide

N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide (PubChem CID 97082363) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
PubChem CID97082363
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(OC[C@@H]2CCCCO2)CC1
InChIInChI=1S/C19H28N2O3/c22-19(20-14-16-6-2-1-3-7-16)21-11-9-17(10-12-21)24-15-18-8-4-5-13-23-18/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t18-/m0/s1
InChIKeyDNUPVCIDPUYIQA-SFHVURJKSA-N
XLogP2.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
3-[[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109447434
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 96515474
N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447368
N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide
CID 109448907
3-[[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]methyl]-N-propylbenzamide
CID 109449779
N'-methyl-N-[(4-nitrophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449733
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 109446893
N'-methyl-N-(naphthalen-1-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448727
N-[4-[[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]methyl]phenyl]butanamide
CID 109446873
N'-methyl-4-(oxan-2-ylmethoxy)-N-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
CID 109447896

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide (CID 97082363) is N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(OC[C@@H]2CCCCO2)CC1.
What is the InChIKey of N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide?
The InChIKey is DNUPVCIDPUYIQA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19(20-14-16-6-2-1-3-7-16)21-11-9-17(10-12-21)24-15-18-8-4-5-13-23-18/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t18-/m0/s1.
What are the key properties of N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide?
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide is sourced from PubChem (CID 97082363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).