1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide

C15H21N5O3 — CID 91816381

IUPAC1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C15H21N5O3/c16-14(21)11-1-3-20(4-2-11)15(22)12-9-13(18-10-17-12)19-5-7-23-8-6-19/h9-11H,1-8H2,(H2,16,21)
InChIKeyASMRUOFJJQSARH-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.35
Rot. Bonds3

About 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide

1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 91816381) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide
PubChem CID91816381
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C15H21N5O3/c16-14(21)11-1-3-20(4-2-11)15(22)12-9-13(18-10-17-12)19-5-7-23-8-6-19/h9-11H,1-8H2,(H2,16,21)
InChIKeyASMRUOFJJQSARH-UHFFFAOYSA-N
XLogP-0.35
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide (CID 91816381) is 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is ASMRUOFJJQSARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c16-14(21)11-1-3-20(4-2-11)15(22)12-9-13(18-10-17-12)19-5-7-23-8-6-19/h9-11H,1-8H2,(H2,16,21).
What are the key properties of 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide?
1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-ylpyrimidine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91816381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).