tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate

C22H34N4O5 — CID 52501971

IUPACtert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate
SMILESCOc1ccc(NC(=O)NC(=O)CN2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H34N4O5/c1-15(23-21(29)31-22(2,3)4)18-8-6-7-13-26(18)14-19(27)25-20(28)24-16-9-11-17(30-5)12-10-16/h9-12,15,18H,6-8,13-14H2,1-5H3,(H,23,29)(H2,24,25,27,28)/t15-,18+/m1/s1
InChIKeyDDDJZCWWRQSGMF-QAPCUYQASA-N
MW434.54 g/mol
LogP3.11
Rot. Bonds6

About tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate (PubChem CID 52501971) has the molecular formula C22H34N4O5 and a molecular weight of 434.54 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate
PubChem CID52501971
Molecular FormulaC22H34N4O5
Molecular Weight434.54 g/mol
Exact Mass434.25
IUPAC Nametert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate
SMILESCOc1ccc(NC(=O)NC(=O)CN2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H34N4O5/c1-15(23-21(29)31-22(2,3)4)18-8-6-7-13-26(18)14-19(27)25-20(28)24-16-9-11-17(30-5)12-10-16/h9-12,15,18H,6-8,13-14H2,1-5H3,(H,23,29)(H2,24,25,27,28)/t15-,18+/m1/s1
InChIKeyDDDJZCWWRQSGMF-QAPCUYQASA-N
XLogP3.11
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate with MolForge

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Related Compounds

N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17434998
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 26666754
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 63759527
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 9292636
tert-butyl N-[1-[1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidin-2-yl]ethyl]carbamate
CID 47092142
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 4818615
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate (CID 52501971) is tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate is COc1ccc(NC(=O)NC(=O)CN2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate?
The InChIKey is DDDJZCWWRQSGMF-QAPCUYQASA-N. The full InChI is InChI=1S/C22H34N4O5/c1-15(23-21(29)31-22(2,3)4)18-8-6-7-13-26(18)14-19(27)25-20(28)24-16-9-11-17(30-5)12-10-16/h9-12,15,18H,6-8,13-14H2,1-5H3,(H,23,29)(H2,24,25,27,28)/t15-,18+/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate has a molecular weight of 434.54 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 52501971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).