[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone

C26H35N3O3 — CID 146120253

IUPAC[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc([C@H]2C[C@H](NCc3ccccc3OC)C[C@@H]2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-28-12-14-29(15-13-28)26(30)24-17-21(27-18-20-6-4-5-7-25(20)32-3)16-23(24)19-8-10-22(31-2)11-9-19/h4-11,21,23-24,27H,12-18H2,1-3H3/t21-,23+,24-/m0/s1
InChIKeyRPFAZNZAIAGJBN-QTJGBDASSA-N
MW437.58 g/mol
LogP3.13
Rot. Bonds7

About [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone

[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 146120253) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID146120253
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc([C@H]2C[C@H](NCc3ccccc3OC)C[C@@H]2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-28-12-14-29(15-13-28)26(30)24-17-21(27-18-20-6-4-5-7-25(20)32-3)16-23(24)19-8-10-22(31-2)11-9-19/h4-11,21,23-24,27H,12-18H2,1-3H3/t21-,23+,24-/m0/s1
InChIKeyRPFAZNZAIAGJBN-QTJGBDASSA-N
XLogP3.13
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120252
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120250
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentyl]-morpholin-4-ylmethanone
CID 146120324
1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
CID 146120286
1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110611250
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114
2-(2-methoxyphenyl)sulfanyl-1-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164804137
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone (CID 146120253) is [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc([C@H]2C[C@H](NCc3ccccc3OC)C[C@@H]2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RPFAZNZAIAGJBN-QTJGBDASSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-28-12-14-29(15-13-28)26(30)24-17-21(27-18-20-6-4-5-7-25(20)32-3)16-23(24)19-8-10-22(31-2)11-9-19/h4-11,21,23-24,27H,12-18H2,1-3H3/t21-,23+,24-/m0/s1.
What are the key properties of [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 437.58 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 146120253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).