tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate

C23H35N3O5 — CID 108919699

IUPACtert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCOc1ccccc1CCC(=O)NC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H35N3O5/c1-23(2,3)31-22(29)24-14-11-21(28)26-15-12-18(13-16-26)25-20(27)10-9-17-7-5-6-8-19(17)30-4/h5-8,18H,9-16H2,1-4H3,(H,24,29)(H,25,27)
InChIKeyOPHWUEZHUIIIOA-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.65
Rot. Bonds8

About tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate

tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 108919699) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID108919699
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Nametert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCOc1ccccc1CCC(=O)NC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H35N3O5/c1-23(2,3)31-22(29)24-14-11-21(28)26-15-12-18(13-16-26)25-20(27)10-9-17-7-5-6-8-19(17)30-4/h5-8,18H,9-16H2,1-4H3,(H,24,29)(H,25,27)
InChIKeyOPHWUEZHUIIIOA-UHFFFAOYSA-N
XLogP2.65
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
tert-butyl N-[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548229
tert-butyl N-[2-[4-[3-(2-chlorophenyl)propanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916790
tert-butyl N-[3-[4-[3-(4-chlorophenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108556545
tert-butyl N-[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919622
tert-butyl N-[2-[4-[3-(3,4-dimethoxyphenyl)propanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108556444
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
tert-butyl N-[3-[[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919706
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
tert-butyl N-[3-oxo-3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidin-1-yl]propyl]carbamate
CID 108919631
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
tert-butyl N-[3-[[1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919736

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate (CID 108919699) is tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate is COc1ccccc1CCC(=O)NC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is OPHWUEZHUIIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5/c1-23(2,3)31-22(29)24-14-11-21(28)26-15-12-18(13-16-26)25-20(27)10-9-17-7-5-6-8-19(17)30-4/h5-8,18H,9-16H2,1-4H3,(H,24,29)(H,25,27).
What are the key properties of tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[3-(2-methoxyphenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 108919699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).