3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C19H30N4O2 — CID 97283542

IUPAC3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CC[C@@H]1CCCN(CCO)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H30N4O2/c24-15-14-21-9-3-4-17(16-21)6-7-19(25)23-12-10-22(11-13-23)18-5-1-2-8-20-18/h1-2,5,8,17,24H,3-4,6-7,9-16H2/t17-/m0/s1
InChIKeyBHFVHFBUVOQVIZ-KRWDZBQOSA-N
MW346.48 g/mol
LogP1.21
Rot. Bonds6

About 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 97283542) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID97283542
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CC[C@@H]1CCCN(CCO)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H30N4O2/c24-15-14-21-9-3-4-17(16-21)6-7-19(25)23-12-10-22(11-13-23)18-5-1-2-8-20-18/h1-2,5,8,17,24H,3-4,6-7,9-16H2/t17-/m0/s1
InChIKeyBHFVHFBUVOQVIZ-KRWDZBQOSA-N
XLogP1.21
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72923350
3-(1-acetylpiperidin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72912225
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45222850
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 45217012
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-3-yl]propan-1-one
CID 42567239
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 45210083
3-[(3S)-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 29153719
3-[(3S)-1-[2-(diethylamino)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 25365297
3-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 25308182
6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 29086450
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056
3-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56715718

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 97283542) is 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CC[C@@H]1CCCN(CCO)C1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is BHFVHFBUVOQVIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-15-14-21-9-3-4-17(16-21)6-7-19(25)23-12-10-22(11-13-23)18-5-1-2-8-20-18/h1-2,5,8,17,24H,3-4,6-7,9-16H2/t17-/m0/s1.
What are the key properties of 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 346.48 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 97283542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).