N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide

C18H30N4O — CID 95827163

IUPACN,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
SMILESCc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(C(C)C)C2)n1
InChIInChI=1S/C18H30N4O/c1-13(2)22-10-6-7-15(12-22)18-19-14(3)11-16(20-18)8-9-17(23)21(4)5/h11,13,15H,6-10,12H2,1-5H3/t15-/m0/s1
InChIKeyACKYXISJBYYXGL-HNNXBMFYSA-N
MW318.47 g/mol
LogP2.39
Rot. Bonds5

About N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide

N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide (PubChem CID 95827163) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
PubChem CID95827163
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
SMILESCc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(C(C)C)C2)n1
InChIInChI=1S/C18H30N4O/c1-13(2)22-10-6-7-15(12-22)18-19-14(3)11-16(20-18)8-9-17(23)21(4)5/h11,13,15H,6-10,12H2,1-5H3/t15-/m0/s1
InChIKeyACKYXISJBYYXGL-HNNXBMFYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
CID 124964765
N,N-dimethyl-3-[6-methyl-2-[1-[2-(methylamino)acetyl]piperidin-3-yl]pyrimidin-4-yl]propanamide
CID 110090169
4,6-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110254196
2-[6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]benzoic acid
CID 118740326
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95826565
4-methyl-2-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 125019578
3-[6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 175661809
3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 124938907
3-[6-methyl-2-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256786
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110101210

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide (CID 95827163) is N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide is Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(C(C)C)C2)n1.
What is the InChIKey of N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide?
The InChIKey is ACKYXISJBYYXGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-13(2)22-10-6-7-15(12-22)18-19-14(3)11-16(20-18)8-9-17(23)21(4)5/h11,13,15H,6-10,12H2,1-5H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide?
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide has a molecular weight of 318.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 95827163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).