3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide

C22H29N5O2 — CID 95103263

IUPAC3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)c1
InChIInChI=1S/C22H29N5O2/c1-29-19-6-2-5-18(12-19)26-22(28)10-7-16-4-3-11-27(14-16)21-13-20(23-15-24-21)25-17-8-9-17/h2,5-6,12-13,15-17H,3-4,7-11,14H2,1H3,(H,26,28)(H,23,24,25)/t16-/m1/s1
InChIKeyJEHMDHGSFFJFIW-MRXNPFEDSA-N
MW395.51 g/mol
LogP3.69
Rot. Bonds8

About 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide

3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 95103263) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID95103263
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)c1
InChIInChI=1S/C22H29N5O2/c1-29-19-6-2-5-18(12-19)26-22(28)10-7-16-4-3-11-27(14-16)21-13-20(23-15-24-21)25-17-8-9-17/h2,5-6,12-13,15-17H,3-4,7-11,14H2,1H3,(H,26,28)(H,23,24,25)/t16-/m1/s1
InChIKeyJEHMDHGSFFJFIW-MRXNPFEDSA-N
XLogP3.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 53174306
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 95103212
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 53174467
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propan-2-ylpropanamide
CID 129369239
3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 95102979
N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102785
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
CID 53174507
N-(2,4-dimethoxyphenyl)-3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95103040
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 95103173
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 53174502
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 53174462
ethyl 4-[3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanoylamino]piperidine-1-carboxylate
CID 95103267

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide (CID 95103263) is 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)c1.
What is the InChIKey of 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is JEHMDHGSFFJFIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-29-19-6-2-5-18(12-19)26-22(28)10-7-16-4-3-11-27(14-16)21-13-20(23-15-24-21)25-17-8-9-17/h2,5-6,12-13,15-17H,3-4,7-11,14H2,1H3,(H,26,28)(H,23,24,25)/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide?
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 395.51 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 95103263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).