1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one

C19H27N5O — CID 124994173

About 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one

1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one (PubChem CID 124994173) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one.

Molecular Properties

• Compound Name: 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
• PubChem CID: 124994173
• Molecular Formula: C19H27N5O
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.22
• IUPAC Name: 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
• SMILES: Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1
• InChI: InChI=1S/C19H27N5O/c1-15-12-21-22-19(15)16-6-5-10-24(13-16)18(25)8-11-23(2)14-17-7-3-4-9-20-17/h3-4,7,9,12,16H,5-6,8,10-11,13-14H2,1-2H3,(H,21,22)/t16-/m0/s1
• InChIKey: QCYDEYYGEKWPMZ-INIZCTEOSA-N
• XLogP: 2.34
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one?

The IUPAC name of 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one (CID 124994173) is 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one.

What is the SMILES notation for 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one?

The canonical SMILES for 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one is Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1.

What is the InChIKey of 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one?

The InChIKey is QCYDEYYGEKWPMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-12-21-22-19(15)16-6-5-10-24(13-16)18(25)8-11-23(2)14-17-7-3-4-9-20-17/h3-4,7,9,12,16H,5-6,8,10-11,13-14H2,1-2H3,(H,21,22)/t16-/m0/s1.

What are the key properties of 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one?

1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one has a molecular weight of 341.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 124994173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).