[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone

C16H23N3O — CID 110203913

IUPAC[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCN1C[C@H](C(=O)N2CCCCC2)[C@@H](c2ccncc2)C1
InChIInChI=1S/C16H23N3O/c1-18-11-14(13-5-7-17-8-6-13)15(12-18)16(20)19-9-3-2-4-10-19/h5-8,14-15H,2-4,9-12H2,1H3/t14-,15+/m1/s1
InChIKeyHYBLFBRKMVREIQ-CABCVRRESA-N
MW273.38 g/mol
LogP1.74
Rot. Bonds2

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

[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 110203913) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone
PubChem CID110203913
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCN1C[C@H](C(=O)N2CCCCC2)[C@@H](c2ccncc2)C1
InChIInChI=1S/C16H23N3O/c1-18-11-14(13-5-7-17-8-6-13)15(12-18)16(20)19-9-3-2-4-10-19/h5-8,14-15H,2-4,9-12H2,1H3/t14-,15+/m1/s1
InChIKeyHYBLFBRKMVREIQ-CABCVRRESA-N
XLogP1.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082
(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 166828290
3,3-dimethyl-1-[3-phenyl-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 42825801
[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 174328620
2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 109132206
(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 42680169
[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93148899
[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42825796
(3S,4R)-1-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 72889732
3-(4-fluorophenyl)-N-propan-2-yl-4-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioamide
CID 42827107
[(3S,4R)-1-(4-fluorobenzoyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93151591
(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 70774229

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone (CID 110203913) is [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone is CN1C[C@H](C(=O)N2CCCCC2)[C@@H](c2ccncc2)C1.
What is the InChIKey of [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is HYBLFBRKMVREIQ-CABCVRRESA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-11-14(13-5-7-17-8-6-13)15(12-18)16(20)19-9-3-2-4-10-19/h5-8,14-15H,2-4,9-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone?
[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110203913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).