(3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine

C20H29N5O2 — CID 129252257

IUPAC(3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@@H]1CN(c2ncc(C)cc2-c2nc(C)no2)CC[C@@H]1NC1CCCC1
InChIInChI=1S/C20H29N5O2/c1-13-10-16(20-22-14(2)24-27-20)19(21-11-13)25-9-8-17(18(12-25)26-3)23-15-6-4-5-7-15/h10-11,15,17-18,23H,4-9,12H2,1-3H3/t17-,18+/m0/s1
InChIKeyQMGCLDBOJLVWCI-ZWKOTPCHSA-N
MW371.49 g/mol
LogP2.87
Rot. Bonds5

About (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine

(3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 129252257) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID129252257
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@@H]1CN(c2ncc(C)cc2-c2nc(C)no2)CC[C@@H]1NC1CCCC1
InChIInChI=1S/C20H29N5O2/c1-13-10-16(20-22-14(2)24-27-20)19(21-11-13)25-9-8-17(18(12-25)26-3)23-15-6-4-5-7-15/h10-11,15,17-18,23H,4-9,12H2,1-3H3/t17-,18+/m0/s1
InChIKeyQMGCLDBOJLVWCI-ZWKOTPCHSA-N
XLogP2.87
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine (CID 129252257) is (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine is CO[C@@H]1CN(c2ncc(C)cc2-c2nc(C)no2)CC[C@@H]1NC1CCCC1.
What is the InChIKey of (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is QMGCLDBOJLVWCI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-10-16(20-22-14(2)24-27-20)19(21-11-13)25-9-8-17(18(12-25)26-3)23-15-6-4-5-7-15/h10-11,15,17-18,23H,4-9,12H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine?
(3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 371.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-cyclopentyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 129252257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).