1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide

C19H27N5O3 — CID 56897867

IUPAC1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)C3(C(N)=O)CC3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H27N5O3/c1-13-21-15(12-16(22-13)23-8-10-27-11-9-23)14-2-6-24(7-3-14)18(26)19(4-5-19)17(20)25/h12,14H,2-11H2,1H3,(H2,20,25)
InChIKeyGWRTUHYCGVZMLC-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.59
Rot. Bonds4

About 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide

1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 56897867) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID56897867
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)C3(C(N)=O)CC3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H27N5O3/c1-13-21-15(12-16(22-13)23-8-10-27-11-9-23)14-2-6-24(7-3-14)18(26)19(4-5-19)17(20)25/h12,14H,2-11H2,1H3,(H2,20,25)
InChIKeyGWRTUHYCGVZMLC-UHFFFAOYSA-N
XLogP0.59
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(2-Oxo-2-{4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}ethyl)morpholine
CID 70708382
N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide
CID 46958237
N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56710094
N-ethyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}propanamide
CID 56886571
2-{4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56895028
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56903888
N-cyclopropyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56910246
(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
2-{3-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56915341
4-{6-[1-(Isopropoxyacetyl)-4-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70709841
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanamine
CID 70751277
2-({4-[6-(1-Pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}carbonyl)morpholine
CID 70754172

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide (CID 56897867) is 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide is Cc1nc(C2CCN(C(=O)C3(C(N)=O)CC3)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is GWRTUHYCGVZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-21-15(12-16(22-13)23-8-10-27-11-9-23)14-2-6-24(7-3-14)18(26)19(4-5-19)17(20)25/h12,14H,2-11H2,1H3,(H2,20,25).
What are the key properties of 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56897867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).