[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone

C14H22N4O2 — CID 91840087

IUPAC[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC(O)(CN2CCCC2)CC1
InChIInChI=1S/C14H22N4O2/c19-13(12-9-15-11-16-12)18-7-3-14(20,4-8-18)10-17-5-1-2-6-17/h9,11,20H,1-8,10H2,(H,15,16)
InChIKeyDALZSNHDSFLZNF-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.47
Rot. Bonds3

About [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone

[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 91840087) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID91840087
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC(O)(CN2CCCC2)CC1
InChIInChI=1S/C14H22N4O2/c19-13(12-9-15-11-16-12)18-7-3-14(20,4-8-18)10-17-5-1-2-6-17/h9,11,20H,1-8,10H2,(H,15,16)
InChIKeyDALZSNHDSFLZNF-UHFFFAOYSA-N
XLogP0.47
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone (CID 91840087) is [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCC(O)(CN2CCCC2)CC1.
What is the InChIKey of [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is DALZSNHDSFLZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-13(12-9-15-11-16-12)18-7-3-14(20,4-8-18)10-17-5-1-2-6-17/h9,11,20H,1-8,10H2,(H,15,16).
What are the key properties of [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 91840087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).