C153H177ClN10O9S — CID 158509223
(1-cyclobutylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;(1-cyclopentylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-pyridin-2-ylnaphthalen-2-yl)methanone;6-[1-[(2-methylcyclopropyl)methyl]piperidine-3-carbonyl]naphthalene-2-carbonitrile;6-[(3S,4R)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile;hydrochloride (PubChem CID 158509223) has the molecular formula C153H177ClN10O9S and a molecular weight of 2367.68 g/mol. Its IUPAC name is (1-cyclobutylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;(1-cyclopentylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-pyridin-2-ylnaphthalen-2-yl)methanone;6-[1-[(2-methylcyclopropyl)methyl]piperidine-3-carbonyl]naphthalene-2-carbonitrile;6-[(3S,4R)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile;hydrochloride.
| Compound Name | (1-cyclobutylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;(1-cyclopentylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-pyridin-2-ylnaphthalen-2-yl)methanone;6-[1-[(2-methylcyclopropyl)methyl]piperidine-3-carbonyl]naphthalene-2-carbonitrile;6-[(3S,4R)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile;hydrochloride |
|---|---|
| PubChem CID | 158509223 |
| Molecular Formula | C153H177ClN10O9S |
| Molecular Weight | 2367.68 g/mol |
| Exact Mass | 2365.31 |
| IUPAC Name | (1-cyclobutylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;(1-cyclopentylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-pyridin-2-ylnaphthalen-2-yl)methanone;6-[1-[(2-methylcyclopropyl)methyl]piperidine-3-carbonyl]naphthalene-2-carbonitrile;6-[(3S,4R)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile;hydrochloride |
| SMILES | CC1CC1CN1CCCC(C(=O)c2ccc3cc(C#N)ccc3c2)C1.CCCN1CC[C@@H](C)[C@H](C(=O)c2ccc3cc(C#N)ccc3c2)C1.CS(=O)(=O)c1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1.Cc1ccc2cc(C(=O)C3CCCN(C4CCC4)C3)ccc2c1.Cc1ccc2cc(C(=O)C3CCCN(C4CCCC4)C3)ccc2c1.Cc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1.Cl.O=C(c1ccc2cc(-c3ccccn3)ccc2c1)C1CCCN(CC2CC2)C1 |
| InChI | InChI=1S/C25H26N2O.C22H24N2O.C22H27NO.C21H24N2O.C21H25NO3S.2C21H25NO.ClH/c28-25(23-4-3-13-27(17-23)16-18-6-7-18)22-11-9-19-14-21(10-8-20(19)15-22)24-5-1-2-12-26-24;1-15-9-21(15)14-24-8-2-3-20(13-24)22(25)19-7-6-17-10-16(12-23)4-5-18(17)11-19;1-16-8-9-18-14-19(11-10-17(18)13-16)22(24)20-5-4-12-23(15-20)21-6-2-3-7-21;1-3-9-23-10-8-15(2)20(14-23)21(24)19-7-6-17-11-16(13-22)4-5-18(17)12-19;1-26(24,25)20-9-8-16-11-18(7-6-17(16)12-20)21(23)19-3-2-10-22(14-19)13-15-4-5-15;1-15-7-8-17-13-18(10-9-16(17)12-15)21(23)19-4-3-11-22(14-19)20-5-2-6-20;1-15-4-7-18-12-19(9-8-17(18)11-15)21(23)20-3-2-10-22(14-20)13-16-5-6-16;/h1-2,5,8-12,14-15,18,23H,3-4,6-7,13,16-17H2;4-7,10-11,15,20-21H,2-3,8-9,13-14H2,1H3;8-11,13-14,20-21H,2-7,12,15H2,1H3;4-7,11-12,15,20H,3,8-10,14H2,1-2H3;6-9,11-12,15,19H,2-5,10,13-14H2,1H3;7-10,12-13,19-20H,2-6,11,14H2,1H3;4,7-9,11-12,16,20H,2-3,5-6,10,13-14H2,1H3;1H/t;;;15-,20-;;;;/m...1..../s1 |
| InChIKey | YNBDLVASEMEVMU-RMRQZDOLSA-N |
| XLogP | 31.73 |
| TPSA | 236.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2367.68 |
| LogP ≤ 5 | 31.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |