[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone

C22H26N2O2 — CID 124793902

IUPAC[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC[C@H](OCC2CC2)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C22H26N2O2/c25-22(19-7-4-11-23-14-19)24-12-10-21(26-16-18-8-9-18)20(15-24)13-17-5-2-1-3-6-17/h1-7,11,14,18,20-21H,8-10,12-13,15-16H2/t20-,21+/m1/s1
InChIKeyPGJDVVARYDDBFA-RTWAWAEBSA-N
MW350.46 g/mol
LogP3.58
Rot. Bonds6

About [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone

[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 124793902) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID124793902
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC[C@H](OCC2CC2)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C22H26N2O2/c25-22(19-7-4-11-23-14-19)24-12-10-21(26-16-18-8-9-18)20(15-24)13-17-5-2-1-3-6-17/h1-7,11,14,18,20-21H,8-10,12-13,15-16H2/t20-,21+/m1/s1
InChIKeyPGJDVVARYDDBFA-RTWAWAEBSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97422517
[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 97422838
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-2-ylmethanone
CID 124801072
[(3S,4R)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 97422522
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124793722
[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97422827
[(3S,4R)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97422533
1-[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 97477683
1-[(3S,4S)-3-benzyl-4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-methoxyethanone
CID 97484857
3-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]pyridine
CID 97384213

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone (CID 124793902) is [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC[C@H](OCC2CC2)[C@H](Cc2ccccc2)C1.
What is the InChIKey of [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PGJDVVARYDDBFA-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(19-7-4-11-23-14-19)24-12-10-21(26-16-18-8-9-18)20(15-24)13-17-5-2-1-3-6-17/h1-7,11,14,18,20-21H,8-10,12-13,15-16H2/t20-,21+/m1/s1.
What are the key properties of [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 350.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124793902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).