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

C18H29N5O2 — CID 20959461

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C18H29N5O2/c1-15-3-7-22(8-4-15)6-2-5-19-17(24)16-13-20-18(21-14-16)23-9-11-25-12-10-23/h13-15H,2-12H2,1H3,(H,19,24)
InChIKeyVLZDQYGWTWZTHU-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.16
Rot. Bonds6

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

N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 20959461) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID20959461
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C18H29N5O2/c1-15-3-7-22(8-4-15)6-2-5-19-17(24)16-13-20-18(21-14-16)23-9-11-25-12-10-23/h13-15H,2-12H2,1H3,(H,19,24)
InChIKeyVLZDQYGWTWZTHU-UHFFFAOYSA-N
XLogP1.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.16
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-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 20959461) is N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is CC1CCN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is VLZDQYGWTWZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-15-3-7-22(8-4-15)6-2-5-19-17(24)16-13-20-18(21-14-16)23-9-11-25-12-10-23/h13-15H,2-12H2,1H3,(H,19,24).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).