N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

C20H29N5O — CID 128976187

IUPACN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H29N5O/c1-24-19(4-10-23-24)20-17(7-13-26-20)14-22-18-5-11-25(12-6-18)15-16-2-8-21-9-3-16/h2-4,8-10,17-18,20,22H,5-7,11-15H2,1H3/t17-,20+/m0/s1
InChIKeyRMYLHBGTVUNEQW-FXAWDEMLSA-N
MW355.49 g/mol
LogP2.15
Rot. Bonds6

About N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 128976187) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID128976187
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H29N5O/c1-24-19(4-10-23-24)20-17(7-13-26-20)14-22-18-5-11-25(12-6-18)15-16-2-8-21-9-3-16/h2-4,8-10,17-18,20,22H,5-7,11-15H2,1H3/t17-,20+/m0/s1
InChIKeyRMYLHBGTVUNEQW-FXAWDEMLSA-N
XLogP2.15
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
CID 128967418
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 100641729
(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 138015924
1,2-dimethyl-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120965775
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
3-[[4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 120916492
5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine
CID 100694634
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 120916560

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (CID 128976187) is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is Cn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is RMYLHBGTVUNEQW-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H29N5O/c1-24-19(4-10-23-24)20-17(7-13-26-20)14-22-18-5-11-25(12-6-18)15-16-2-8-21-9-3-16/h2-4,8-10,17-18,20,22H,5-7,11-15H2,1H3/t17-,20+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 128976187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).