[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone

C19H24N4O2 — CID 99702778

IUPAC[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC[C@@H](NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1O
InChIInChI=1S/C19H24N4O2/c1-2-16(15-5-3-4-6-18(15)24)22-14-7-11-23(12-8-14)19(25)17-13-20-9-10-21-17/h3-6,9-10,13-14,16,22,24H,2,7-8,11-12H2,1H3/t16-/m1/s1
InChIKeyUCFNHDKTCYRLNG-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.53
Rot. Bonds5

About [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 99702778) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID99702778
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC[C@@H](NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1O
InChIInChI=1S/C19H24N4O2/c1-2-16(15-5-3-4-6-18(15)24)22-14-7-11-23(12-8-14)19(25)17-13-20-9-10-21-17/h3-6,9-10,13-14,16,22,24H,2,7-8,11-12H2,1H3/t16-/m1/s1
InChIKeyUCFNHDKTCYRLNG-MRXNPFEDSA-N
XLogP2.53
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 131952112
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
CID 99700469
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566849
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108550660
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
N-[4-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108566860

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 99702778) is [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone is CC[C@@H](NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1O.
What is the InChIKey of [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is UCFNHDKTCYRLNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-16(15-5-3-4-6-18(15)24)22-14-7-11-23(12-8-14)19(25)17-13-20-9-10-21-17/h3-6,9-10,13-14,16,22,24H,2,7-8,11-12H2,1H3/t16-/m1/s1.
What are the key properties of [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 340.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 99702778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).