(3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone

C20H22N4O2S — CID 171784168

IUPAC(3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
SMILESCc1nc(OCc2ccc(C(=O)N3CCCC(N)C3)cc2)c2ccsc2n1
InChIInChI=1S/C20H22N4O2S/c1-13-22-18(17-8-10-27-19(17)23-13)26-12-14-4-6-15(7-5-14)20(25)24-9-2-3-16(21)11-24/h4-8,10,16H,2-3,9,11-12,21H2,1H3
InChIKeyQYFUACUOBHXTCX-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.14
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone

(3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone (PubChem CID 171784168) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
PubChem CID171784168
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name(3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
SMILESCc1nc(OCc2ccc(C(=O)N3CCCC(N)C3)cc2)c2ccsc2n1
InChIInChI=1S/C20H22N4O2S/c1-13-22-18(17-8-10-27-19(17)23-13)26-12-14-4-6-15(7-5-14)20(25)24-9-2-3-16(21)11-24/h4-8,10,16H,2-3,9,11-12,21H2,1H3
InChIKeyQYFUACUOBHXTCX-UHFFFAOYSA-N
XLogP3.14
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
CID 171784172
(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[3-(dimethylamino)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
CID 175578609
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
[(3S)-3-aminopiperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 124628209
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
[(3R)-3-aminopiperidin-1-yl]-(3-methylpyrazolo[1,5-a]pyridin-6-yl)methanone
CID 175901256
2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 119377667

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone (CID 171784168) is (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone is Cc1nc(OCc2ccc(C(=O)N3CCCC(N)C3)cc2)c2ccsc2n1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone?
The InChIKey is QYFUACUOBHXTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-22-18(17-8-10-27-19(17)23-13)26-12-14-4-6-15(7-5-14)20(25)24-9-2-3-16(21)11-24/h4-8,10,16H,2-3,9,11-12,21H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone?
(3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone has a molecular weight of 382.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone is sourced from PubChem (CID 171784168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).