trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol

C20H29N5O — CID 146113946

IUPACtrans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H29N5O/c26-20-13-17(15-25-9-1-6-22-25)12-19(20)23-18-4-10-24(11-5-18)14-16-2-7-21-8-3-16/h1-3,6-9,17-20,23,26H,4-5,10-15H2/t17?,19-,20-/m1/s1
InChIKeyKQGOTIMMJLPHGD-IPNZSQQUSA-N
MW355.49 g/mol
LogP1.67
Rot. Bonds6

About trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol

trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol (PubChem CID 146113946) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol
PubChem CID146113946
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Nametrans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H29N5O/c26-20-13-17(15-25-9-1-6-22-25)12-19(20)23-18-4-10-24(11-5-18)14-16-2-7-21-8-3-16/h1-3,6-9,17-20,23,26H,4-5,10-15H2/t17?,19-,20-/m1/s1
InChIKeyKQGOTIMMJLPHGD-IPNZSQQUSA-N
XLogP1.67
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 154793796
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 146113945
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol
CID 167752604
trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153878
1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495314
methyl 4-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate
CID 90495331
trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167878720
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167781265
trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
CID 166286085

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol (CID 146113946) is trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol is O[C@@H]1CC(Cn2cccn2)C[C@H]1NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is KQGOTIMMJLPHGD-IPNZSQQUSA-N. The full InChI is InChI=1S/C20H29N5O/c26-20-13-17(15-25-9-1-6-22-25)12-19(20)23-18-4-10-24(11-5-18)14-16-2-7-21-8-3-16/h1-3,6-9,17-20,23,26H,4-5,10-15H2/t17?,19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol?
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 355.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 146113946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).