tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate

C23H35N3O4 — CID 56539223

IUPACtert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H35N3O4/c1-23(2,3)30-22(28)24-16-20-9-4-5-10-26(20)21(27)19-8-6-7-18(15-19)17-25-11-13-29-14-12-25/h6-8,15,20H,4-5,9-14,16-17H2,1-3H3,(H,24,28)
InChIKeyPSJRQCVVCIQHGM-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.04
Rot. Bonds5

About tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate (PubChem CID 56539223) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate
PubChem CID56539223
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Nametert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H35N3O4/c1-23(2,3)30-22(28)24-16-20-9-4-5-10-26(20)21(27)19-8-6-7-18(15-19)17-25-11-13-29-14-12-25/h6-8,15,20H,4-5,9-14,16-17H2,1-3H3,(H,24,28)
InChIKeyPSJRQCVVCIQHGM-UHFFFAOYSA-N
XLogP3.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[(2S)-1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 94375785
[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 124729193
N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide
CID 92682584
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
tert-butyl N-[[1-[(3-cyanophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 60602632
tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
CID 155730830
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
tert-butyl N-[[(2R)-4-methyl-1-[3-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazin-2-yl]methyl]carbamate
CID 96538114
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70738477
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate (CID 56539223) is tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCN1C(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate?
The InChIKey is PSJRQCVVCIQHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-23(2,3)30-22(28)24-16-20-9-4-5-10-26(20)21(27)19-8-6-7-18(15-19)17-25-11-13-29-14-12-25/h6-8,15,20H,4-5,9-14,16-17H2,1-3H3,(H,24,28).
What are the key properties of tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate has a molecular weight of 417.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 56539223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).