N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide

C18H29N5O2 — CID 124964765

IUPACN,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
SMILESCNCC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1
InChIInChI=1S/C18H29N5O2/c1-13-10-15(7-8-16(24)22(3)4)21-18(20-13)14-6-5-9-23(12-14)17(25)11-19-2/h10,14,19H,5-9,11-12H2,1-4H3/t14-/m0/s1
InChIKeyHZXDCCNIFCCNTR-AWEZNQCLSA-N
MW347.46 g/mol
LogP0.73
Rot. Bonds6

About N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide

N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide (PubChem CID 124964765) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
PubChem CID124964765
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
SMILESCNCC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1
InChIInChI=1S/C18H29N5O2/c1-13-10-15(7-8-16(24)22(3)4)21-18(20-13)14-6-5-9-23(12-14)17(25)11-19-2/h10,14,19H,5-9,11-12H2,1-4H3/t14-/m0/s1
InChIKeyHZXDCCNIFCCNTR-AWEZNQCLSA-N
XLogP0.73
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[6-methyl-2-[1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
CID 110090169
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95827163
N,N-dimethyl-3-[6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanamide
CID 110258190
3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide
CID 124942486
3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 95827098
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
3-[6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 175661809
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95826565
N-[2-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95829909
3-[6-methyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 95827284
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110256556
1-[3-[4-(dimethylamino)-6-(methylaminomethyl)pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110092509

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide (CID 124964765) is N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide is CNCC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1.
What is the InChIKey of N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide?
The InChIKey is HZXDCCNIFCCNTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13-10-15(7-8-16(24)22(3)4)21-18(20-13)14-6-5-9-23(12-14)17(25)11-19-2/h10,14,19H,5-9,11-12H2,1-4H3/t14-/m0/s1.
What are the key properties of N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide?
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 124964765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).