[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone

C20H24N4OS — CID 95104986

IUPAC[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)N1CCSCC1
InChIInChI=1S/C20H24N4OS/c25-20(23-10-12-26-13-11-23)17-6-7-22-19(14-17)24-9-8-21-18(15-24)16-4-2-1-3-5-16/h1-7,14,18,21H,8-13,15H2/t18-/m1/s1
InChIKeyNDFPBUPEUQSDGD-GOSISDBHSA-N
MW368.51 g/mol
LogP2.42
Rot. Bonds3

About [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone

[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone (PubChem CID 95104986) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
PubChem CID95104986
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)N1CCSCC1
InChIInChI=1S/C20H24N4OS/c25-20(23-10-12-26-13-11-23)17-6-7-22-19(14-17)24-9-8-21-18(15-24)16-4-2-1-3-5-16/h1-7,14,18,21H,8-13,15H2/t18-/m1/s1
InChIKeyNDFPBUPEUQSDGD-GOSISDBHSA-N
XLogP2.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104988
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 95105166
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone (CID 95104986) is [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone is O=C(c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)N1CCSCC1.
What is the InChIKey of [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The InChIKey is NDFPBUPEUQSDGD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4OS/c25-20(23-10-12-26-13-11-23)17-6-7-22-19(14-17)24-9-8-21-18(15-24)16-4-2-1-3-5-16/h1-7,14,18,21H,8-13,15H2/t18-/m1/s1.
What are the key properties of [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone?
[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone has a molecular weight of 368.51 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 95104986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).