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Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C22H32N4O2 — CID 154793796

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtrans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCOc1cccc(CN2CCC(N[C@@H]3CC(Cn4cccn4)C[C@H]3O)CC2)c1
InChIInChI=1S/C22H32N4O2/c1-28-20-5-2-4-17(12-20)15-25-10-6-19(7-11-25)24-21-13-18(14-22(21)27)16-26-9-3-8-23-26/h2-5,8-9,12,18-19,21-22,24,27H,6-7,10-11,13-16H2,1H3/t18?,21-,22-/m1/s1
InChIKeyUYZVYUAHYAVKEU-IPKCRJEZSA-N
MW384.52 g/mol
LogP2.29
Rot. Bonds7

About Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 154793796) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound NameTrans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID154793796
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Nametrans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCOc1cccc(CN2CCC(N[C@@H]3CC(Cn4cccn4)C[C@H]3O)CC2)c1
InChIInChI=1S/C22H32N4O2/c1-28-20-5-2-4-17(12-20)15-25-10-6-19(7-11-25)24-21-13-18(14-22(21)27)16-26-9-3-8-23-26/h2-5,8-9,12,18-19,21-22,24,27H,6-7,10-11,13-16H2,1H3/t18?,21-,22-/m1/s1
InChIKeyUYZVYUAHYAVKEU-IPKCRJEZSA-N
XLogP2.29
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 154793796) is trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is COc1cccc(CN2CCC(N[C@@H]3CC(Cn4cccn4)C[C@H]3O)CC2)c1.
What is the InChIKey of Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is UYZVYUAHYAVKEU-IPKCRJEZSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-28-20-5-2-4-17(12-20)15-25-10-6-19(7-11-25)24-21-13-18(14-22(21)27)16-26-9-3-8-23-26/h2-5,8-9,12,18-19,21-22,24,27H,6-7,10-11,13-16H2,1H3/t18?,21-,22-/m1/s1.
What are the key properties of Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 384.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 154793796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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