tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate

C27H36N4O5 — CID 90375145

IUPACtert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESCOc1ccccc1CN1CCC(NC(=O)CN(Cc2cc(C=O)ccn2)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C27H36N4O5/c1-27(2,3)36-26(34)31(17-23-15-20(19-32)9-12-28-23)18-25(33)29-22-10-13-30(14-11-22)16-21-7-5-6-8-24(21)35-4/h5-9,12,15,19,22H,10-11,13-14,16-18H2,1-4H3,(H,29,33)
InChIKeyMEACSAPGUJWFEV-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.42
Rot. Bonds9

About tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate (PubChem CID 90375145) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
PubChem CID90375145
Molecular FormulaC27H36N4O5
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC Nametert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESCOc1ccccc1CN1CCC(NC(=O)CN(Cc2cc(C=O)ccn2)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C27H36N4O5/c1-27(2,3)36-26(34)31(17-23-15-20(19-32)9-12-28-23)18-25(33)29-22-10-13-30(14-11-22)16-21-7-5-6-8-24(21)35-4/h5-9,12,15,19,22H,10-11,13-14,16-18H2,1-4H3,(H,29,33)
InChIKeyMEACSAPGUJWFEV-UHFFFAOYSA-N
XLogP3.42
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
tert-butyl N-[3-[benzyl(methyl)amino]propyl]-N-[(4-formyl-2-pyridinyl)methyl]carbamate
CID 90374985
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
CID 113162917
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 55951851
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55951097
tert-butyl N-[(5-formyl-2-methoxyphenyl)methyl]-N-prop-2-ynylcarbamate
CID 135290105
methyl 5-acetyl-2-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55977808

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate (CID 90375145) is tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate is COc1ccccc1CN1CCC(NC(=O)CN(Cc2cc(C=O)ccn2)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is MEACSAPGUJWFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5/c1-27(2,3)36-26(34)31(17-23-15-20(19-32)9-12-28-23)18-25(33)29-22-10-13-30(14-11-22)16-21-7-5-6-8-24(21)35-4/h5-9,12,15,19,22H,10-11,13-14,16-18H2,1-4H3,(H,29,33).
What are the key properties of tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 496.61 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 90375145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).