N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C19H31N5O2 — CID 16673476

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H31N5O2/c1-15-10-16(2)14-23(13-15)5-3-4-20-18(25)17-11-21-19(22-12-17)24-6-8-26-9-7-24/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,20,25)
InChIKeyLUXSTWLDIYGNKG-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.41
Rot. Bonds6

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 16673476) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID16673476
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H31N5O2/c1-15-10-16(2)14-23(13-15)5-3-4-20-18(25)17-11-21-19(22-12-17)24-6-8-26-9-7-24/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,20,25)
InChIKeyLUXSTWLDIYGNKG-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 16673476) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is CC1CC(C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is LUXSTWLDIYGNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-10-16(2)14-23(13-15)5-3-4-20-18(25)17-11-21-19(22-12-17)24-6-8-26-9-7-24/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,20,25).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 16673476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).