1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

C18H30N6O2 — CID 56873912

IUPAC1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3cc(N)ncn3)CC2)C1
InChIInChI=1S/C18H30N6O2/c1-26-10-6-20-18(25)14-3-2-7-24(12-14)15-4-8-23(9-5-15)17-11-16(19)21-13-22-17/h11,13-15H,2-10,12H2,1H3,(H,20,25)(H2,19,21,22)
InChIKeyVPLUHCRJINUSLO-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.50
Rot. Bonds6

About 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 56873912) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID56873912
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3cc(N)ncn3)CC2)C1
InChIInChI=1S/C18H30N6O2/c1-26-10-6-20-18(25)14-3-2-7-24(12-14)15-4-8-23(9-5-15)17-11-16(19)21-13-22-17/h11,13-15H,2-10,12H2,1H3,(H,20,25)(H2,19,21,22)
InChIKeyVPLUHCRJINUSLO-UHFFFAOYSA-N
XLogP0.50
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 56873912) is 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(c3cc(N)ncn3)CC2)C1.
What is the InChIKey of 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is VPLUHCRJINUSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-26-10-6-20-18(25)14-3-2-7-24(12-14)15-4-8-23(9-5-15)17-11-16(19)21-13-22-17/h11,13-15H,2-10,12H2,1H3,(H,20,25)(H2,19,21,22).
What are the key properties of 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56873912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).