4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide

C18H27N3O3 — CID 91785748

IUPAC4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-20-8-10-21(11-9-20)18(22)19-16-7-12-23-14-17(16)24-13-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,19,22)/t16-,17-/m1/s1
InChIKeyYEULUSIPGBXPDR-IAGOWNOFSA-N
MW333.43 g/mol
LogP1.32
Rot. Bonds4

About 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide

4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide (PubChem CID 91785748) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
PubChem CID91785748
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-20-8-10-21(11-9-20)18(22)19-16-7-12-23-14-17(16)24-13-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,19,22)/t16-,17-/m1/s1
InChIKeyYEULUSIPGBXPDR-IAGOWNOFSA-N
XLogP1.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide
CID 91774051
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]morpholine-4-carboxamide
CID 11886493
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91795731
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide (CID 91785748) is 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide is CN1CCN(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide?
The InChIKey is YEULUSIPGBXPDR-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20-8-10-21(11-9-20)18(22)19-16-7-12-23-14-17(16)24-13-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,19,22)/t16-,17-/m1/s1.
What are the key properties of 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide?
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 91785748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).