4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid

C16H26N4O3 — CID 69416837

IUPAC4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(O)CN2CCC(c3ccn[nH]3)CC2)CC1
InChIInChI=1S/C16H26N4O3/c21-15(13-4-9-20(10-5-13)16(22)23)11-19-7-2-12(3-8-19)14-1-6-17-18-14/h1,6,12-13,15,21H,2-5,7-11H2,(H,17,18)(H,22,23)
InChIKeySUZYDEWMABFSKA-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.34
Rot. Bonds4

About 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid

4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid (PubChem CID 69416837) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid
PubChem CID69416837
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(O)CN2CCC(c3ccn[nH]3)CC2)CC1
InChIInChI=1S/C16H26N4O3/c21-15(13-4-9-20(10-5-13)16(22)23)11-19-7-2-12(3-8-19)14-1-6-17-18-14/h1,6,12-13,15,21H,2-5,7-11H2,(H,17,18)(H,22,23)
InChIKeySUZYDEWMABFSKA-UHFFFAOYSA-N
XLogP1.34
TPSA92.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid (CID 69416837) is 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(C(O)CN2CCC(c3ccn[nH]3)CC2)CC1.
What is the InChIKey of 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid?
The InChIKey is SUZYDEWMABFSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-15(13-4-9-20(10-5-13)16(22)23)11-19-7-2-12(3-8-19)14-1-6-17-18-14/h1,6,12-13,15,21H,2-5,7-11H2,(H,17,18)(H,22,23).
What are the key properties of 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid?
4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69416837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).