(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide

C17H22N4O2S — CID 129489839

IUPAC(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCc1cc2c(N3CCC([C@H](O)C(=O)NC4CC4)CC3)ncnc2s1
InChIInChI=1S/C17H22N4O2S/c1-10-8-13-15(18-9-19-17(13)24-10)21-6-4-11(5-7-21)14(22)16(23)20-12-2-3-12/h8-9,11-12,14,22H,2-7H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyCCNPNASLSSXWBH-AWEZNQCLSA-N
MW346.46 g/mol
LogP1.86
Rot. Bonds4

About (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide

(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 129489839) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID129489839
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCc1cc2c(N3CCC([C@H](O)C(=O)NC4CC4)CC3)ncnc2s1
InChIInChI=1S/C17H22N4O2S/c1-10-8-13-15(18-9-19-17(13)24-10)21-6-4-11(5-7-21)14(22)16(23)20-12-2-3-12/h8-9,11-12,14,22H,2-7H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyCCNPNASLSSXWBH-AWEZNQCLSA-N
XLogP1.86
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133407949
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(8-methylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 129489930
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129490037
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
CID 133408735
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
N-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63618240
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133408084
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432414
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135113953
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide (CID 129489839) is (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide is Cc1cc2c(N3CCC([C@H](O)C(=O)NC4CC4)CC3)ncnc2s1.
What is the InChIKey of (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is CCNPNASLSSXWBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-8-13-15(18-9-19-17(13)24-10)21-6-4-11(5-7-21)14(22)16(23)20-12-2-3-12/h8-9,11-12,14,22H,2-7H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide?
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 129489839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).