N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide

C20H27N5O2 — CID 172893039

IUPACN-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide
SMILESCc1nnc(N2CCC(N(C)C(=O)N3CCOCC3)CC2)c2ccccc12
InChIInChI=1S/C20H27N5O2/c1-15-17-5-3-4-6-18(17)19(22-21-15)24-9-7-16(8-10-24)23(2)20(26)25-11-13-27-14-12-25/h3-6,16H,7-14H2,1-2H3
InChIKeyFISSWNPLAAICIM-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.29
Rot. Bonds2

About N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide

N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide (PubChem CID 172893039) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide
PubChem CID172893039
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide
SMILESCc1nnc(N2CCC(N(C)C(=O)N3CCOCC3)CC2)c2ccccc12
InChIInChI=1S/C20H27N5O2/c1-15-17-5-3-4-6-18(17)19(22-21-15)24-9-7-16(8-10-24)23(2)20(26)25-11-13-27-14-12-25/h3-6,16H,7-14H2,1-2H3
InChIKeyFISSWNPLAAICIM-UHFFFAOYSA-N
XLogP2.29
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[1-(4-methylquinolin-2-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172892839
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172881655
1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
N-methyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172893051
N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 54923632
N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)morpholine-4-carboxamide
CID 172892057
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172892797
2-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994690
N-methyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 115668205
N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881912
morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
CID 42690972
1-(4-methylphthalazin-1-yl)piperidin-4-one
CID 43395101

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide (CID 172893039) is N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide is Cc1nnc(N2CCC(N(C)C(=O)N3CCOCC3)CC2)c2ccccc12.
What is the InChIKey of N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide?
The InChIKey is FISSWNPLAAICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-17-5-3-4-6-18(17)19(22-21-15)24-9-7-16(8-10-24)23(2)20(26)25-11-13-27-14-12-25/h3-6,16H,7-14H2,1-2H3.
What are the key properties of N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide?
N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 172893039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).