tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate

C22H29N5O4 — CID 69454140

IUPACtert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
SMILESCOc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C22H29N5O4/c1-22(2,3)31-21(29)27-13-11-26(12-14-27)19-10-9-16(15-23-19)24-20(28)25-17-7-5-6-8-18(17)30-4/h5-10,15H,11-14H2,1-4H3,(H2,24,25,28)
InChIKeyMDVZBRSCRUPDFJ-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.79
Rot. Bonds4

About tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 69454140) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID69454140
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Nametert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
SMILESCOc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C22H29N5O4/c1-22(2,3)31-21(29)27-13-11-26(12-14-27)19-10-9-16(15-23-19)24-20(28)25-17-7-5-6-8-18(17)30-4/h5-10,15H,11-14H2,1-4H3,(H2,24,25,28)
InChIKeyMDVZBRSCRUPDFJ-UHFFFAOYSA-N
XLogP3.79
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69448676
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252
tert-butyl 4-[4-[(2-methylsulfanylphenyl)carbamoylamino]phenyl]piperazine-1-carboxylate
CID 69449605
1-[6-[4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-3-(2-methoxy-5-methylphenyl)urea
CID 69449703
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
benzyl 4-[5-[(2-methylphenyl)carbamoylamino]-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 46053420
tert-butyl 4-[2-(2-methoxyanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 166605682
1-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(2,3-dimethylphenyl)urea
CID 46053486
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
CID 69454094

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate (CID 69454140) is tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate is COc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is MDVZBRSCRUPDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-22(2,3)31-21(29)27-13-11-26(12-14-27)19-10-9-16(15-23-19)24-20(28)25-17-7-5-6-8-18(17)30-4/h5-10,15H,11-14H2,1-4H3,(H2,24,25,28).
What are the key properties of tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 427.51 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 69454140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).