N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide

C18H29N5O2 — CID 56906505

IUPACN-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
SMILESCNC(=O)CCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-14-20-16(13-17(21-14)23-9-11-25-12-10-23)15-3-6-22(7-4-15)8-5-18(24)19-2/h13,15H,3-12H2,1-2H3,(H,19,24)
InChIKeyXHSYNMMNCGJHEE-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.94
Rot. Bonds5

About N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide

N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide (PubChem CID 56906505) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
PubChem CID56906505
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
SMILESCNC(=O)CCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-14-20-16(13-17(21-14)23-9-11-25-12-10-23)15-3-6-22(7-4-15)8-5-18(24)19-2/h13,15H,3-12H2,1-2H3,(H,19,24)
InChIKeyXHSYNMMNCGJHEE-UHFFFAOYSA-N
XLogP0.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56908006
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95866877
[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95897837
(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
CID 95883020
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
CID 56882461
1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one
CID 70741044
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 70753175
3-[6-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
CID 124996733
3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-N-methylpropanamide
CID 110097362
[(3R)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95867832

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide (CID 56906505) is N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide is CNC(=O)CCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The InChIKey is XHSYNMMNCGJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-20-16(13-17(21-14)23-9-11-25-12-10-23)15-3-6-22(7-4-15)8-5-18(24)19-2/h13,15H,3-12H2,1-2H3,(H,19,24).
What are the key properties of N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide?
N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56906505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).