benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate

C24H34N4O5 — CID 71228540

IUPACbenzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate
SMILESO=C(N[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O)OCc1ccccc1
InChIInChI=1S/C24H34N4O5/c29-22(28-11-4-8-20(28)16-26-12-14-32-15-13-26)17-27-10-5-9-21(23(27)30)25-24(31)33-18-19-6-2-1-3-7-19/h1-3,6-7,20-21H,4-5,8-18H2,(H,25,31)/t20-,21+/m0/s1
InChIKeyAYPLSNTZBQWVQC-LEWJYISDSA-N
MW458.56 g/mol
LogP1.23
Rot. Bonds7

About benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate

benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate (PubChem CID 71228540) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate
PubChem CID71228540
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Namebenzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate
SMILESO=C(N[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O)OCc1ccccc1
InChIInChI=1S/C24H34N4O5/c29-22(28-11-4-8-20(28)16-26-12-14-32-15-13-26)17-27-10-5-9-21(23(27)30)25-24(31)33-18-19-6-2-1-3-7-19/h1-3,6-7,20-21H,4-5,8-18H2,(H,25,31)/t20-,21+/m0/s1
InChIKeyAYPLSNTZBQWVQC-LEWJYISDSA-N
XLogP1.23
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
[(3S)-2-oxo-1-[2-oxo-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl] N-benzylcarbamate
CID 91513499
tert-butyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 56630789
tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 22946050
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 142159179
1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 95621430
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
CID 75463364
2-phenylmethoxy-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 94819194
2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
CID 23213435
benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
CID 58778178
2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 97143198

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate (CID 71228540) is benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate is O=C(N[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate?
The InChIKey is AYPLSNTZBQWVQC-LEWJYISDSA-N. The full InChI is InChI=1S/C24H34N4O5/c29-22(28-11-4-8-20(28)16-26-12-14-32-15-13-26)17-27-10-5-9-21(23(27)30)25-24(31)33-18-19-6-2-1-3-7-19/h1-3,6-7,20-21H,4-5,8-18H2,(H,25,31)/t20-,21+/m0/s1.
What are the key properties of benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate?
benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate has a molecular weight of 458.56 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 71228540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).