methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate

C15H22N4O2 — CID 71857671

IUPACmethyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Nc2ncnc3c2CCCC3)CC1
InChIInChI=1S/C15H22N4O2/c1-21-15(20)19-8-6-11(7-9-19)18-14-12-4-2-3-5-13(12)16-10-17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyWFDWVVBDRPLWHB-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.00
Rot. Bonds2

About methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate

methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate (PubChem CID 71857671) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate
PubChem CID71857671
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Namemethyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Nc2ncnc3c2CCCC3)CC1
InChIInChI=1S/C15H22N4O2/c1-21-15(20)19-8-6-11(7-9-19)18-14-12-4-2-3-5-13(12)16-10-17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyWFDWVVBDRPLWHB-UHFFFAOYSA-N
XLogP2.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate (CID 71857671) is methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate is COC(=O)N1CCC(Nc2ncnc3c2CCCC3)CC1.
What is the InChIKey of methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate?
The InChIKey is WFDWVVBDRPLWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-15(20)19-8-6-11(7-9-19)18-14-12-4-2-3-5-13(12)16-10-17-14/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate?
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 71857671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).