(3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

C17H19ClN4O2 — CID 111112295

IUPAC(3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN4O2/c18-13-3-1-11(2-4-13)15(23)12-5-9-22(10-6-12)17(24)14-16(19)21-8-7-20-14/h1-4,7-8,12,15,23H,5-6,9-10H2,(H2,19,21)
InChIKeyKKEBMNURPUBPTO-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.30
Rot. Bonds3

About (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (PubChem CID 111112295) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
PubChem CID111112295
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN4O2/c18-13-3-1-11(2-4-13)15(23)12-5-9-22(10-6-12)17(24)14-16(19)21-8-7-20-14/h1-4,7-8,12,15,23H,5-6,9-10H2,(H2,19,21)
InChIKeyKKEBMNURPUBPTO-UHFFFAOYSA-N
XLogP2.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38480245
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 56785827
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 111434266
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119321794
(2-chloro-4-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 56803648
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 111112247
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
CID 120562532

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (CID 111112295) is (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is Nc1nccnc1C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The InChIKey is KKEBMNURPUBPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-13-3-1-11(2-4-13)15(23)12-5-9-22(10-6-12)17(24)14-16(19)21-8-7-20-14/h1-4,7-8,12,15,23H,5-6,9-10H2,(H2,19,21).
What are the key properties of (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone has a molecular weight of 346.82 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 111112295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).