tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate

C23H35N3O6 — CID 108919244

IUPACtert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCOc1cc(OC)cc(C(=O)NCC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C23H35N3O6/c1-23(2,3)32-22(29)24-9-6-20(27)26-10-7-16(8-11-26)15-25-21(28)17-12-18(30-4)14-19(13-17)31-5/h12-14,16H,6-11,15H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyHFHRWLHVGFCEFQ-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.59
Rot. Bonds8

About tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate

tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 108919244) has the molecular formula C23H35N3O6 and a molecular weight of 449.55 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID108919244
Molecular FormulaC23H35N3O6
Molecular Weight449.55 g/mol
Exact Mass449.25
IUPAC Nametert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCOc1cc(OC)cc(C(=O)NCC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C23H35N3O6/c1-23(2,3)32-22(29)24-9-6-20(27)26-10-7-16(8-11-26)15-25-21(28)17-12-18(30-4)14-19(13-17)31-5/h12-14,16H,6-11,15H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyHFHRWLHVGFCEFQ-UHFFFAOYSA-N
XLogP2.59
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919430
3,5-dimethoxy-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17191669
tert-butyl N-[3-[4-[[(2-benzamidoacetyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919240
tert-butyl N-[3-[[1-(3-methoxybenzoyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919237
tert-butyl N-[3-[4-[[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919268
tert-butyl N-[3-oxo-3-[4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]propyl]carbamate
CID 108919362
tert-butyl N-[2-[4-[[(4-tert-butylbenzoyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916462
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-[3-[4-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919554
tert-butyl N-[3-oxo-3-[4-[[2-(4-propan-2-ylphenoxy)propanoylamino]methyl]piperidin-1-yl]propyl]carbamate
CID 108919318
tert-butyl N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]methyl]carbamate
CID 47089866
tert-butyl N-[2-oxo-2-[4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]ethyl]carbamate
CID 108916564

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate (CID 108919244) is tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate is COc1cc(OC)cc(C(=O)NCC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is HFHRWLHVGFCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O6/c1-23(2,3)32-22(29)24-9-6-20(27)26-10-7-16(8-11-26)15-25-21(28)17-12-18(30-4)14-19(13-17)31-5/h12-14,16H,6-11,15H2,1-5H3,(H,24,29)(H,25,28).
What are the key properties of tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 449.55 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 108919244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).