ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate

C18H28N4O2 — CID 50952326

IUPACethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2nc(C)c3c(n2)CCCC3)CC1
InChIInChI=1S/C18H28N4O2/c1-3-24-18(23)22-10-8-14(9-11-22)19-12-17-20-13(2)15-6-4-5-7-16(15)21-17/h14,19H,3-12H2,1-2H3
InChIKeyRJWOLEPOLQAREB-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.37
Rot. Bonds4

About ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate

ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate (PubChem CID 50952326) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate
PubChem CID50952326
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Nameethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2nc(C)c3c(n2)CCCC3)CC1
InChIInChI=1S/C18H28N4O2/c1-3-24-18(23)22-10-8-14(9-11-22)19-12-17-20-13(2)15-6-4-5-7-16(15)21-17/h14,19H,3-12H2,1-2H3
InChIKeyRJWOLEPOLQAREB-UHFFFAOYSA-N
XLogP2.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 72888077
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CID 97514925
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CID 110262189
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CID 110262216
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CID 56903424
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CID 57495324
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CID 46050913
CID 46050913

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate (CID 50952326) is ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2nc(C)c3c(n2)CCCC3)CC1.
What is the InChIKey of ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is RJWOLEPOLQAREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-24-18(23)22-10-8-14(9-11-22)19-12-17-20-13(2)15-6-4-5-7-16(15)21-17/h14,19H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50952326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).