[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C19H27N5O2 — CID 56754737

IUPAC[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCCCO)nc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C19H27N5O2/c25-14-2-8-20-18-4-3-17(15-21-18)19(26)23-11-5-16(6-12-23)7-13-24-10-1-9-22-24/h1,3-4,9-10,15-16,25H,2,5-8,11-14H2,(H,20,21)
InChIKeyZOFSRSADQDJTGC-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.01
Rot. Bonds8

About [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 56754737) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID56754737
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCCCO)nc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C19H27N5O2/c25-14-2-8-20-18-4-3-17(15-21-18)19(26)23-11-5-16(6-12-23)7-13-24-10-1-9-22-24/h1,3-4,9-10,15-16,25H,2,5-8,11-14H2,(H,20,21)
InChIKeyZOFSRSADQDJTGC-UHFFFAOYSA-N
XLogP2.01
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 56754737) is [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ccc(NCCCO)nc1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is ZOFSRSADQDJTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c25-14-2-8-20-18-4-3-17(15-21-18)19(26)23-11-5-16(6-12-23)7-13-24-10-1-9-22-24/h1,3-4,9-10,15-16,25H,2,5-8,11-14H2,(H,20,21).
What are the key properties of [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56754737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).