tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate

C26H34N2O5 — CID 66587122

IUPACtert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCOc1cc(CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H34N2O5/c1-26(2,3)33-25(30)28-14-12-21(13-15-28)24(29)27-17-20-10-11-22(23(16-20)31-4)32-18-19-8-6-5-7-9-19/h5-11,16,21H,12-15,17-18H2,1-4H3,(H,27,29)
InChIKeyKMSHVVPUFBHFCH-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.54
Rot. Bonds7

About tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 66587122) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID66587122
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Nametert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCOc1cc(CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H34N2O5/c1-26(2,3)33-25(30)28-14-12-21(13-15-28)24(29)27-17-20-10-11-22(23(16-20)31-4)32-18-19-8-6-5-7-9-19/h5-11,16,21H,12-15,17-18H2,1-4H3,(H,27,29)
InChIKeyKMSHVVPUFBHFCH-UHFFFAOYSA-N
XLogP4.54
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
tert-butyl 4-[2-[(4-ethoxy-3-methoxyphenyl)methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56513294
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55660795
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623456
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
CID 54848264
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46470684
tert-butyl 4-[[3-(3-methoxy-4-phenylmethoxyphenyl)phenyl]methyl]piperazine-1-carboxylate
CID 171675504
tert-butyl 2-[(3,4-dimethoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 4826015
tert-butyl 4-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51218821

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate (CID 66587122) is tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate is COc1cc(CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCc1ccccc1.
What is the InChIKey of tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is KMSHVVPUFBHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-26(2,3)33-25(30)28-14-12-21(13-15-28)24(29)27-17-20-10-11-22(23(16-20)31-4)32-18-19-8-6-5-7-9-19/h5-11,16,21H,12-15,17-18H2,1-4H3,(H,27,29).
What are the key properties of tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 454.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 66587122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).